2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine

C13H19ClN2 — CID 80996130

IUPAC2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine
SMILESCN(Cc1ccc(Cl)cc1)C1CCC1CN
InChIInChI=1S/C13H19ClN2/c1-16(13-7-4-11(13)8-15)9-10-2-5-12(14)6-3-10/h2-3,5-6,11,13H,4,7-9,15H2,1H3
InChIKeyMYPLHDFYVFMFIE-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.51
Rot. Bonds4

About 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine

2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine (PubChem CID 80996130) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine
PubChem CID80996130
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine
SMILESCN(Cc1ccc(Cl)cc1)C1CCC1CN
InChIInChI=1S/C13H19ClN2/c1-16(13-7-4-11(13)8-15)9-10-2-5-12(14)6-3-10/h2-3,5-6,11,13H,4,7-9,15H2,1H3
InChIKeyMYPLHDFYVFMFIE-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine (CID 80996130) is 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine is CN(Cc1ccc(Cl)cc1)C1CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine?
The InChIKey is MYPLHDFYVFMFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-16(13-7-4-11(13)8-15)9-10-2-5-12(14)6-3-10/h2-3,5-6,11,13H,4,7-9,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine?
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine has a molecular weight of 238.76 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine is sourced from PubChem (CID 80996130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).