N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine

C14H22ClN3 — CID 115238709

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
SMILESCN1CCNC(CN(C)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H22ClN3/c1-17-8-7-16-14(10-17)11-18(2)9-12-3-5-13(15)6-4-12/h3-6,14,16H,7-11H2,1-2H3
InChIKeyHGCMTPAJYMCZLQ-UHFFFAOYSA-N
MW267.80 g/mol
LogP1.68
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine

N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine (PubChem CID 115238709) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
PubChem CID115238709
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
SMILESCN1CCNC(CN(C)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H22ClN3/c1-17-8-7-16-14(10-17)11-18(2)9-12-3-5-13(15)6-4-12/h3-6,14,16H,7-11H2,1-2H3
InChIKeyHGCMTPAJYMCZLQ-UHFFFAOYSA-N
XLogP1.68
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine 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-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
CID 115238706
N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
CID 115238727
N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 115238718
3,4-difluoro-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]aniline
CID 115238616
3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
CID 82292400
1-(3-bromocyclobutyl)-N-[(4-chlorophenyl)methyl]-N-methylmethanamine
CID 80689957
methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid
CID 130404511
N-methyl-2-(4-methylpiperazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115239455
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 115238608
2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238803
N-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine
CID 115238636

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine (CID 115238709) is N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine is CN1CCNC(CN(C)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine?
The InChIKey is HGCMTPAJYMCZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-17-8-7-16-14(10-17)11-18(2)9-12-3-5-13(15)6-4-12/h3-6,14,16H,7-11H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine?
N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine has a molecular weight of 267.80 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 115238709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).