4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine

C14H16ClN3 — CID 112740911

IUPAC4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
SMILESCc1ccncc1CNc1c(N)ccc(Cl)c1C
InChIInChI=1S/C14H16ClN3/c1-9-5-6-17-7-11(9)8-18-14-10(2)12(15)3-4-13(14)16/h3-7,18H,8,16H2,1-2H3
InChIKeySGXZPWXRDIWICG-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.55
Rot. Bonds3

About 4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine

4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine (PubChem CID 112740911) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
PubChem CID112740911
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
SMILESCc1ccncc1CNc1c(N)ccc(Cl)c1C
InChIInChI=1S/C14H16ClN3/c1-9-5-6-17-7-11(9)8-18-14-10(2)12(15)3-4-13(14)16/h3-7,18H,8,16H2,1-2H3
InChIKeySGXZPWXRDIWICG-UHFFFAOYSA-N
XLogP3.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine 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

2,6-difluoro-1-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,4-diamine
CID 114954480
5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956528
2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114075281
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 114954533
5-chloro-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 114956672
3,5-dichloro-2-N-ethyl-6-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 102760189
3-methyl-5-N-[(4-methyl-3-pyridinyl)methyl]isoquinoline-5,8-diamine
CID 102713713
3-chloro-4-[(4-methyl-3-pyridinyl)methylamino]benzenecarbothioamide
CID 114956238
2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine
CID 114954576
5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956718

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine (CID 112740911) is 4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine is Cc1ccncc1CNc1c(N)ccc(Cl)c1C.
What is the InChIKey of 4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine?
The InChIKey is SGXZPWXRDIWICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9-5-6-17-7-11(9)8-18-14-10(2)12(15)3-4-13(14)16/h3-7,18H,8,16H2,1-2H3.
What are the key properties of 4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine?
4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine has a molecular weight of 261.76 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 112740911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).