1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine

C18H29NO — CID 116768960

IUPAC1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
SMILESCOC1(C(N)CCc2ccccc2)CCC(C)(C)CC1
InChIInChI=1S/C18H29NO/c1-17(2)11-13-18(20-3,14-12-17)16(19)10-9-15-7-5-4-6-8-15/h4-8,16H,9-14,19H2,1-3H3
InChIKeyJAOMXGBHSBQABQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.93
Rot. Bonds5

About 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine

1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine (PubChem CID 116768960) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
PubChem CID116768960
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
SMILESCOC1(C(N)CCc2ccccc2)CCC(C)(C)CC1
InChIInChI=1S/C18H29NO/c1-17(2)11-13-18(20-3,14-12-17)16(19)10-9-15-7-5-4-6-8-15/h4-8,16H,9-14,19H2,1-3H3
InChIKeyJAOMXGBHSBQABQ-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103012565
2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769029
1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 65391218
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine
CID 116769301
2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 114932736
1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol
CID 116755787
2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769197
1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine
CID 105094059
1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine
CID 58380816
(2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 116769102
2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769036
4-ethylsulfonyl-1-(1-methoxy-4,4-dimethylcyclohexyl)butan-1-amine
CID 116769078

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine (CID 116768960) is 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine is COC1(C(N)CCc2ccccc2)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine?
The InChIKey is JAOMXGBHSBQABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2)11-13-18(20-3,14-12-17)16(19)10-9-15-7-5-4-6-8-15/h4-8,16H,9-14,19H2,1-3H3.
What are the key properties of 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine?
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 116768960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).