N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine

C19H31NO — CID 82924013

IUPACN-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine
SMILESCOc1cc(C(CNC(C)C)C2CCCCC2)ccc1C
InChIInChI=1S/C19H31NO/c1-14(2)20-13-18(16-8-6-5-7-9-16)17-11-10-15(3)19(12-17)21-4/h10-12,14,16,18,20H,5-9,13H2,1-4H3
InChIKeyLWFKZBWDSQPRCX-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.67
Rot. Bonds6

About N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine

N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine (PubChem CID 82924013) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine
PubChem CID82924013
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine
SMILESCOc1cc(C(CNC(C)C)C2CCCCC2)ccc1C
InChIInChI=1S/C19H31NO/c1-14(2)20-13-18(16-8-6-5-7-9-16)17-11-10-15(3)19(12-17)21-4/h10-12,14,16,18,20H,5-9,13H2,1-4H3
InChIKeyLWFKZBWDSQPRCX-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735
[cyclohexyl-(3-methoxy-4-methylphenyl)methyl]hydrazine
CID 105281985
2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 82924006
2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 82937094
2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 71776049
(2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 175283324
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine
CID 82933059
N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-2-amine
CID 82932644
[cyclopropyl-(3-methoxy-4-methylphenyl)methyl]hydrazine
CID 105314485
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine
CID 82937261
N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine
CID 104819466

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine (CID 82924013) is N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine is COc1cc(C(CNC(C)C)C2CCCCC2)ccc1C.
What is the InChIKey of N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine?
The InChIKey is LWFKZBWDSQPRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)20-13-18(16-8-6-5-7-9-16)17-11-10-15(3)19(12-17)21-4/h10-12,14,16,18,20H,5-9,13H2,1-4H3.
What are the key properties of N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine?
N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 82924013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).