N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine

C15H16Cl2N2 — CID 115854889

IUPACN-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2/c1-3-18-15(11-8-7-10(2)19-9-11)12-5-4-6-13(16)14(12)17/h4-9,15,18H,3H2,1-2H3
InChIKeyCLXAPDHEEPNTRU-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.40
Rot. Bonds4

About N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine

N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 115854889) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID115854889
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC NameN-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2/c1-3-18-15(11-8-7-10(2)19-9-11)12-5-4-6-13(16)14(12)17/h4-9,15,18H,3H2,1-2H3
InChIKeyCLXAPDHEEPNTRU-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine 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-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854598
N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755221
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115854580
N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82729644
N-[(3-bromo-4-methylphenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851243
N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63412201
N-[(5-chloro-2-methoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854831
N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851170
N-[(4-ethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55165244
N-[(6-methyl-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 105144382
N-[(2,4-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854963

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine (CID 115854889) is N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)nc1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is CLXAPDHEEPNTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-3-18-15(11-8-7-10(2)19-9-11)12-5-4-6-13(16)14(12)17/h4-9,15,18H,3H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 295.21 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 115854889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).