N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline

C17H21ClN2 — CID 106816343

IUPACN-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline
SMILESCc1ccc(CNc2cccc(CN(C)C)c2)cc1Cl
InChIInChI=1S/C17H21ClN2/c1-13-7-8-14(10-17(13)18)11-19-16-6-4-5-15(9-16)12-20(2)3/h4-10,19H,11-12H2,1-3H3
InChIKeyQNBWJAWBRSWMNY-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.32
Rot. Bonds5

About N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline

N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline (PubChem CID 106816343) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline
PubChem CID106816343
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline
SMILESCc1ccc(CNc2cccc(CN(C)C)c2)cc1Cl
InChIInChI=1S/C17H21ClN2/c1-13-7-8-14(10-17(13)18)11-19-16-6-4-5-15(9-16)12-20(2)3/h4-10,19H,11-12H2,1-3H3
InChIKeyQNBWJAWBRSWMNY-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline 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

3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol
CID 106817071
3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 43435749
N-[(4-aminophenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 83962509
N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 106816557
N-[(4-bromo-3-fluorophenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 81437225
N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline
CID 106816096
N-benzyl-3-chloro-4-methylaniline
CID 18778604
3-[(3-chloro-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 106816341
N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine
CID 106816916
N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline
CID 29298509
4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol
CID 106817009
4-chloro-2-[[3-[(dimethylamino)methyl]anilino]methyl]phenol
CID 43688843

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline (CID 106816343) is N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline is Cc1ccc(CNc2cccc(CN(C)C)c2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline?
The InChIKey is QNBWJAWBRSWMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-13-7-8-14(10-17(13)18)11-19-16-6-4-5-15(9-16)12-20(2)3/h4-10,19H,11-12H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline?
N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline has a molecular weight of 288.82 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 106816343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).