1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine

C15H24N2O — CID 103562687

IUPAC1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine
SMILESCOc1ccccc1CN(C)C1(CN)CC(C)C1
InChIInChI=1S/C15H24N2O/c1-12-8-15(9-12,11-16)17(2)10-13-6-4-5-7-14(13)18-3/h4-7,12H,8-11,16H2,1-3H3
InChIKeyHDMLFKHSNKPYBH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.25
Rot. Bonds5

About 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine

1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine (PubChem CID 103562687) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine
PubChem CID103562687
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine
SMILESCOc1ccccc1CN(C)C1(CN)CC(C)C1
InChIInChI=1S/C15H24N2O/c1-12-8-15(9-12,11-16)17(2)10-13-6-4-5-7-14(13)18-3/h4-7,12H,8-11,16H2,1-3H3
InChIKeyHDMLFKHSNKPYBH-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine
CID 81468498
1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 28759377
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64752250
1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
CID 104791379
1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 64501771
1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 62004520
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115249526
2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64752913
[1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65393215
1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
CID 62007927
1-(aminomethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]cycloheptan-1-amine
CID 65084666
1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine
CID 43176319

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine (CID 103562687) is 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine is COc1ccccc1CN(C)C1(CN)CC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine?
The InChIKey is HDMLFKHSNKPYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-8-15(9-12,11-16)17(2)10-13-6-4-5-7-14(13)18-3/h4-7,12H,8-11,16H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine?
1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine is sourced from PubChem (CID 103562687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).