2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine

C17H27NO — CID 20571901

IUPAC2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine
SMILESCOc1cccc(C2(C)CCCCC2(C)N(C)C)c1
InChIInChI=1S/C17H27NO/c1-16(14-9-8-10-15(13-14)19-5)11-6-7-12-17(16,2)18(3)4/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyLQGFESGFXRQMCS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds3

About 2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine

2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine (PubChem CID 20571901) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine
PubChem CID20571901
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine
SMILESCOc1cccc(C2(C)CCCCC2(C)N(C)C)c1
InChIInChI=1S/C17H27NO/c1-16(14-9-8-10-15(13-14)19-5)11-6-7-12-17(16,2)18(3)4/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyLQGFESGFXRQMCS-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine
CID 121227280
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633
1-(3-methoxyphenyl)cyclopentane-1-carbonitrile
CID 15030110
2-(3-methoxyphenyl)-2-methylcyclohexan-1-one
CID 20571960
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80692869
2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009223
[3-[2-(dimethylamino)-1-hydroxy-2-methylcyclohexyl]phenyl] 2-(6-methoxynaphthalen-2-yl)propanoate
CID 69367890
2-(3-methoxyphenyl)-2-methylcyclopentan-1-one
CID 14565708
trans-(1S,3R)-3-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-2,2-dimethylcycloheptan-1-ol
CID 163525508

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine?
The IUPAC name of 2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine (CID 20571901) is 2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine is COc1cccc(C2(C)CCCCC2(C)N(C)C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine?
The InChIKey is LQGFESGFXRQMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(14-9-8-10-15(13-14)19-5)11-6-7-12-17(16,2)18(3)4/h8-10,13H,6-7,11-12H2,1-5H3.
What are the key properties of 2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine?
2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 20571901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).