1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine

C16H25NO — CID 65444722

IUPAC1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
SMILESCOc1ccc(CCC2(N)CCCCC2C)cc1
InChIInChI=1S/C16H25NO/c1-13-5-3-4-11-16(13,17)12-10-14-6-8-15(18-2)9-7-14/h6-9,13H,3-5,10-12,17H2,1-2H3
InChIKeyAKSZRRLZOSSIFI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.54
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine

1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine (PubChem CID 65444722) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
PubChem CID65444722
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
SMILESCOc1ccc(CCC2(N)CCCCC2C)cc1
InChIInChI=1S/C16H25NO/c1-13-5-3-4-11-16(13,17)12-10-14-6-8-15(18-2)9-7-14/h6-9,13H,3-5,10-12,17H2,1-2H3
InChIKeyAKSZRRLZOSSIFI-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol
CID 65444720
3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine
CID 65445668
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270
1-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-ol
CID 103564336
3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol
CID 79951268
9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol
CID 78144176
[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
CID 81010620
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
1-[2-(4-methoxyphenyl)ethyl]-3-methylcyclopentane-1-carboxylic acid
CID 79428861
1-[2-[(1R,2S)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110349
1-[2-[(1R,2R)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110346
3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
CID 65443041

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine (CID 65444722) is 1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine is COc1ccc(CCC2(N)CCCCC2C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine?
The InChIKey is AKSZRRLZOSSIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-5-3-4-11-16(13,17)12-10-14-6-8-15(18-2)9-7-14/h6-9,13H,3-5,10-12,17H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine?
1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 65444722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).