Fenpropimorph

CAT: 0926-FF23264Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FF23264Size:100 mg

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CAS Number

67564-91-4

Synonyms

(2R,6S) -rel-4-[3-[4- (1,1-dimethylethyl) phenyl]-2-methylpropyl]-2,6-dimethylmorpholine

MDL Number

MFCD09027776

Smiles

C[C@@H]1CN (C[C@@H] (O1) C) CC (C) CC2=CC=C (C=C2) C (C) (C) C

Molecular Formula

C20H33NO

Molecular Weight

303.48 g/mol

Controlled

Chemical Information

Fenpropimorph

(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is an alkylbenzene.

CAS Number	67564-91-4
PubChem CID	93365
IUPAC Name	(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine
Molecular Formula	C20H33NO
Molecular Weight	303.5
XLogP	5.2
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	317

SMILES

C[C@@H]1CN(C[C@@H](O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+

InChIKey

RYAUSSKQMZRMAI-ALOPSCKCSA-N

Chemical Structure

2D Structure

CAS: 67564-91-4

CID: 93365

Formula: C20H33NO

MW: 303.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	303.5
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	303.256214676
Monoisotopic Mass	303.256214676
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	317
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes