2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine

C18H29NO — CID 139927519

IUPAC2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine
SMILESCOCC(CN(C)C)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-19(2)14-18(15-20-3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3
InChIKeyJWROIRQPHGNSGL-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.71
Rot. Bonds6

About 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine

2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine (PubChem CID 139927519) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine
PubChem CID139927519
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine
SMILESCOCC(CN(C)C)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-19(2)14-18(15-20-3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3
InChIKeyJWROIRQPHGNSGL-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene
CID 150061832
(1-chloro-2-cyclopentylbutan-2-yl)benzene
CID 82945804
2-cyclopentyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine
CID 139968924
2-cycloheptyl-N-methyl-2-phenylbutan-1-amine
CID 82933987
1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol
CID 19816197
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 71260606
3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal
CID 62278279
2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol
CID 4068699
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
2-[[(1S,2S)-2-[(2-hydroxy-2,2-diphenylethyl)-methylamino]cyclohexyl]-methylamino]-1,1-diphenylethanol
CID 101490678

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine?
The IUPAC name of 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine (CID 139927519) is 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine.
What is the SMILES notation for 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine?
The canonical SMILES for 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine is COCC(CN(C)C)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine?
The InChIKey is JWROIRQPHGNSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-19(2)14-18(15-20-3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3.
What are the key properties of 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine?
2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine is sourced from PubChem (CID 139927519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).