[2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine

C17H27NO — CID 81011075

IUPAC[2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine
SMILESCOc1ccc(CCC2CC(C)CCC2CN)cc1
InChIInChI=1S/C17H27NO/c1-13-3-7-16(12-18)15(11-13)8-4-14-5-9-17(19-2)10-6-14/h5-6,9-10,13,15-16H,3-4,7-8,11-12,18H2,1-2H3
InChIKeyCNLPCYAXMCJARM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.64
Rot. Bonds5

About [2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine

[2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine (PubChem CID 81011075) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine
PubChem CID81011075
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine
SMILESCOc1ccc(CCC2CC(C)CCC2CN)cc1
InChIInChI=1S/C17H27NO/c1-13-3-7-16(12-18)15(11-13)8-4-14-5-9-17(19-2)10-6-14/h5-6,9-10,13,15-16H,3-4,7-8,11-12,18H2,1-2H3
InChIKeyCNLPCYAXMCJARM-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
CID 81010620
[2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine
CID 43530476
3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine
CID 65443445
(4-methyl-2-propylcyclohexyl)methanamine
CID 81009866
trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 784361
[4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine
CID 81010417
[1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
CID 65446764
[2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009861
5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine
CID 106779333
3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
CID 65443041
4-ethyl-2-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 79422404
N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine
CID 81027041

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine (CID 81011075) is [2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine is COc1ccc(CCC2CC(C)CCC2CN)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine?
The InChIKey is CNLPCYAXMCJARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-3-7-16(12-18)15(11-13)8-4-14-5-9-17(19-2)10-6-14/h5-6,9-10,13,15-16H,3-4,7-8,11-12,18H2,1-2H3.
What are the key properties of [2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine?
[2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 81011075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).