1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine

C17H28N2O — CID 62004520

IUPAC1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCCN(Cc1ccccc1OC)C1(CN)CCCCC1
InChIInChI=1S/C17H28N2O/c1-3-19(17(14-18)11-7-4-8-12-17)13-15-9-5-6-10-16(15)20-2/h5-6,9-10H,3-4,7-8,11-14,18H2,1-2H3
InChIKeyIYIHFJCHGHKORC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.18
Rot. Bonds6

About 1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 62004520) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID62004520
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCCN(Cc1ccccc1OC)C1(CN)CCCCC1
InChIInChI=1S/C17H28N2O/c1-3-19(17(14-18)11-7-4-8-12-17)13-15-9-5-6-10-16(15)20-2/h5-6,9-10H,3-4,7-8,11-14,18H2,1-2H3
InChIKeyIYIHFJCHGHKORC-UHFFFAOYSA-N
XLogP3.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 28759377
1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
CID 104791379
1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine
CID 63480828
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine
CID 61423746
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
[1-[(2-methoxyphenyl)methyl]cyclopentyl]methanamine
CID 62725891
1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone
CID 79058681
1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine
CID 103562687
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 62010146
1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine
CID 62008932
1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
CID 62007927
3-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylthian-3-amine
CID 65484696

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine (CID 62004520) is 1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine is CCN(Cc1ccccc1OC)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is IYIHFJCHGHKORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19(17(14-18)11-7-4-8-12-17)13-15-9-5-6-10-16(15)20-2/h5-6,9-10H,3-4,7-8,11-14,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.18, 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-[(2-methoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62004520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).