1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine

C14H21ClN2 — CID 103562677

IUPAC1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine
SMILESCC1CC(CN)(N(C)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2/c1-11-7-14(8-11,10-16)17(2)9-12-3-5-13(15)6-4-12/h3-6,11H,7-10,16H2,1-2H3
InChIKeyZIIVWKSDUPYMCB-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.90
Rot. Bonds4

About 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine

1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine (PubChem CID 103562677) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine
PubChem CID103562677
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine
SMILESCC1CC(CN)(N(C)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2/c1-11-7-14(8-11,10-16)17(2)9-12-3-5-13(15)6-4-12/h3-6,11H,7-10,16H2,1-2H3
InChIKeyZIIVWKSDUPYMCB-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine (CID 103562677) is 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine is CC1CC(CN)(N(C)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine?
The InChIKey is ZIIVWKSDUPYMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-7-14(8-11,10-16)17(2)9-12-3-5-13(15)6-4-12/h3-6,11H,7-10,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine?
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine has a molecular weight of 252.79 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine is sourced from PubChem (CID 103562677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).