1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine

C18H29NO — CID 63451553

IUPAC1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
SMILESCCC1CCC(CNCc2ccc(OC)c(C)c2)CC1
InChIInChI=1S/C18H29NO/c1-4-15-5-7-16(8-6-15)12-19-13-17-9-10-18(20-3)14(2)11-17/h9-11,15-16,19H,4-8,12-13H2,1-3H3
InChIKeyHORSDUARFOFFMT-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.31
Rot. Bonds6

About 1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine

1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine (PubChem CID 63451553) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
PubChem CID63451553
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
SMILESCCC1CCC(CNCc2ccc(OC)c(C)c2)CC1
InChIInChI=1S/C18H29NO/c1-4-15-5-7-16(8-6-15)12-19-13-17-9-10-18(20-3)14(2)11-17/h9-11,15-16,19H,4-8,12-13H2,1-3H3
InChIKeyHORSDUARFOFFMT-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209928
1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 115207484
N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 66472811
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209615
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 106816651
N-[(4-methoxy-3-methylphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61206805
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine
CID 64749835
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43233318
4-[(cyclopropylmethylamino)methyl]-2-methylaniline
CID 61150758

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine (CID 63451553) is 1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine is CCC1CCC(CNCc2ccc(OC)c(C)c2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine?
The InChIKey is HORSDUARFOFFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-15-5-7-16(8-6-15)12-19-13-17-9-10-18(20-3)14(2)11-17/h9-11,15-16,19H,4-8,12-13H2,1-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine?
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine is sourced from PubChem (CID 63451553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).