N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine

C14H21ClN2 — CID 80996129

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
SMILESCNCC1CCC1N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-16-9-12-5-8-14(12)17(2)10-11-3-6-13(15)7-4-11/h3-4,6-7,12,14,16H,5,8-10H2,1-2H3
InChIKeyLRWOUJGVOVELBM-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.77
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine

N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine (PubChem CID 80996129) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
PubChem CID80996129
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
SMILESCNCC1CCC1N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-16-9-12-5-8-14(12)17(2)10-11-3-6-13(15)7-4-11/h3-4,6-7,12,14,16H,5,8-10H2,1-2H3
InChIKeyLRWOUJGVOVELBM-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80998660
N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80995922
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine
CID 80996130
N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 80999518
1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine
CID 81017888
N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 80998325
N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80998488
N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine
CID 80998376
1-(4-chlorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244797
2-[(4-chlorophenyl)methyl-methylamino]-4-methylcyclohexane-1-carboxylic acid
CID 63072994
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80999920
4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol
CID 71081904

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine (CID 80996129) is N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine is CNCC1CCC1N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine?
The InChIKey is LRWOUJGVOVELBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-16-9-12-5-8-14(12)17(2)10-11-3-6-13(15)7-4-11/h3-4,6-7,12,14,16H,5,8-10H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine?
N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine has a molecular weight of 252.79 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine is sourced from PubChem (CID 80996129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).