1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine

C18H30N2O — CID 62006924

IUPAC1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCCN(Cc1ccc(OC)cc1)C1(CN)CCC(C)CC1
InChIInChI=1S/C18H30N2O/c1-4-20(13-16-5-7-17(21-3)8-6-16)18(14-19)11-9-15(2)10-12-18/h5-8,15H,4,9-14,19H2,1-3H3
InChIKeyUHQXVUSOCCRNRY-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.42
Rot. Bonds6

About 1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 62006924) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID62006924
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCCN(Cc1ccc(OC)cc1)C1(CN)CCC(C)CC1
InChIInChI=1S/C18H30N2O/c1-4-20(13-16-5-7-17(21-3)8-6-16)18(14-19)11-9-15(2)10-12-18/h5-8,15H,4,9-14,19H2,1-3H3
InChIKeyUHQXVUSOCCRNRY-UHFFFAOYSA-N
XLogP3.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine
CID 65085251
1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 63485980
1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 63487026
1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine
CID 63480828
[1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine
CID 65430450
1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 65085139
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118
1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
CID 70921631
1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine
CID 106821852
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine
CID 54981505
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 65458490
1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 63264588

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine (CID 62006924) is 1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine is CCN(Cc1ccc(OC)cc1)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is UHQXVUSOCCRNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-20(13-16-5-7-17(21-3)8-6-16)18(14-19)11-9-15(2)10-12-18/h5-8,15H,4,9-14,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62006924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).