1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine

C17H27NO — CID 65391804

IUPAC1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)C2CCC(C)(C)CC2)c1
InChIInChI=1S/C17H27NO/c1-17(2)9-7-14(8-10-17)16(18)12-13-5-4-6-15(11-13)19-3/h4-6,11,14,16H,7-10,12,18H2,1-3H3
InChIKeyDSFHFERGRNGKFY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.78
Rot. Bonds4

About 1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine

1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine (PubChem CID 65391804) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
PubChem CID65391804
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)C2CCC(C)(C)CC2)c1
InChIInChI=1S/C17H27NO/c1-17(2)9-7-14(8-10-17)16(18)12-13-5-4-6-15(11-13)19-3/h4-6,11,14,16H,7-10,12,18H2,1-3H3
InChIKeyDSFHFERGRNGKFY-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115840738
1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
CID 116766322
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-methoxyphenyl)ethanamine
CID 64984484
1-cyclobutyl-2-(3-methoxyphenyl)ethanol
CID 63017891
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
1-cyclopropyl-2-(3-methylphenyl)ethanamine
CID 54594185
2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80685196
1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 65352870
1-[1-amino-2-(3-methoxyphenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066060

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine (CID 65391804) is 1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine is COc1cccc(CC(N)C2CCC(C)(C)CC2)c1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine?
The InChIKey is DSFHFERGRNGKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2)9-7-14(8-10-17)16(18)12-13-5-4-6-15(11-13)19-3/h4-6,11,14,16H,7-10,12,18H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine?
1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 65391804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).