N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine

C19H31NO — CID 104988004

IUPACN-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(OC)c1)C1CCC(C)CC1
InChIInChI=1S/C19H31NO/c1-5-12-20-19(16-9-6-14(2)7-10-16)17-11-8-15(3)18(13-17)21-4/h8,11,13-14,16,19-20H,5-7,9-10,12H2,1-4H3
InChIKeyZVLVRSKVCJOKDL-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.87
Rot. Bonds6

About N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine

N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine (PubChem CID 104988004) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
PubChem CID104988004
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(OC)c1)C1CCC(C)CC1
InChIInChI=1S/C19H31NO/c1-5-12-20-19(16-9-6-14(2)7-10-16)17-11-8-15(3)18(13-17)21-4/h8,11,13-14,16,19-20H,5-7,9-10,12H2,1-4H3
InChIKeyZVLVRSKVCJOKDL-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988039
N-[(3-methoxy-4-methylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 115856489
N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 104987951
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735
N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65413801
[cyclopropyl-(3-methoxy-4-methylphenyl)methyl]hydrazine
CID 105314485
N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105027607
N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855741
N-[(3,4-dimethylcyclohexyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 104989448
N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 63415910
N-[(3-bromo-4-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine
CID 104989016
N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65414607

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine (CID 104988004) is N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(OC)c1)C1CCC(C)CC1.
What is the InChIKey of N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The InChIKey is ZVLVRSKVCJOKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-12-20-19(16-9-6-14(2)7-10-16)17-11-8-15(3)18(13-17)21-4/h8,11,13-14,16,19-20H,5-7,9-10,12H2,1-4H3.
What are the key properties of N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.87, 6 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]propan-1-amine is sourced from PubChem (CID 104988004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).