[1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine

C19H31NO — CID 65423317

IUPAC[1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(Cc2cc(C)ccc2OC)CC1
InChIInChI=1S/C19H31NO/c1-4-5-16-8-10-19(14-20,11-9-16)13-17-12-15(2)6-7-18(17)21-3/h6-7,12,16H,4-5,8-11,13-14,20H2,1-3H3
InChIKeyZJUDGTJWUJCBCN-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.48
Rot. Bonds6

About [1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine

[1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine (PubChem CID 65423317) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
PubChem CID65423317
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(Cc2cc(C)ccc2OC)CC1
InChIInChI=1S/C19H31NO/c1-4-5-16-8-10-19(14-20,11-9-16)13-17-12-15(2)6-7-18(17)21-3/h6-7,12,16H,4-5,8-11,13-14,20H2,1-3H3
InChIKeyZJUDGTJWUJCBCN-UHFFFAOYSA-N
XLogP4.48
TPSA35.25 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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65424670
[1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65423125
[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine
CID 65394529
[4-ethyl-1-[(2-methoxy-5-methylphenyl)methoxy]cyclohexyl]methanamine
CID 65052647
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 66025990
[1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 65395564
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65196166
[1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine
CID 63520722
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036
4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
CID 63406908
[1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65424678
[3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol
CID 66059005

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine (CID 65423317) is [1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(Cc2cc(C)ccc2OC)CC1.
What is the InChIKey of [1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine?
The InChIKey is ZJUDGTJWUJCBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-5-16-8-10-19(14-20,11-9-16)13-17-12-15(2)6-7-18(17)21-3/h6-7,12,16H,4-5,8-11,13-14,20H2,1-3H3.
What are the key properties of [1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine?
[1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine has a molecular weight of 289.46 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 65423317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).