N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine

C18H29NO — CID 104988039

IUPACN-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(OC)c1)C1CCC(C)CC1
InChIInChI=1S/C18H29NO/c1-5-19-18(15-9-6-13(2)7-10-15)16-11-8-14(3)17(12-16)20-4/h8,11-13,15,18-19H,5-7,9-10H2,1-4H3
InChIKeyRRJOJBZRKUGRGG-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.48
Rot. Bonds5

About N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine

N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 104988039) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
PubChem CID104988039
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(OC)c1)C1CCC(C)CC1
InChIInChI=1S/C18H29NO/c1-5-19-18(15-9-6-13(2)7-10-15)16-11-8-14(3)17(12-16)20-4/h8,11-13,15,18-19H,5-7,9-10H2,1-4H3
InChIKeyRRJOJBZRKUGRGG-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 104988004
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735
[cyclopropyl-(3-methoxy-4-methylphenyl)methyl]hydrazine
CID 105314485
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
N-[(3-methoxy-4-methylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 115856489
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[(3-bromo-4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104657639
N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415595
N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 114981149
N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988095
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine (CID 104988039) is N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine is CCNC(c1ccc(C)c(OC)c1)C1CCC(C)CC1.
What is the InChIKey of N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is RRJOJBZRKUGRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-18(15-9-6-13(2)7-10-15)16-11-8-14(3)17(12-16)20-4/h8,11-13,15,18-19H,5-7,9-10H2,1-4H3.
What are the key properties of N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine?
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 104988039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).