6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine

C14H14Cl2N2 — CID 114075588

IUPAC6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine
SMILESCc1cc(Cl)ccc1CNc1ccc(Cl)nc1C
InChIInChI=1S/C14H14Cl2N2/c1-9-7-12(15)4-3-11(9)8-17-13-5-6-14(16)18-10(13)2/h3-7,17H,8H2,1-2H3
InChIKeyBZUXDJIJWBZTAB-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.62
Rot. Bonds3

About 6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine

6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine (PubChem CID 114075588) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine
PubChem CID114075588
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine
SMILESCc1cc(Cl)ccc1CNc1ccc(Cl)nc1C
InChIInChI=1S/C14H14Cl2N2/c1-9-7-12(15)4-3-11(9)8-17-13-5-6-14(16)18-10(13)2/h3-7,17H,8H2,1-2H3
InChIKeyBZUXDJIJWBZTAB-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine
CID 107266358
4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43766570
3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103275724
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 104853998
N-[(4-chloro-2-methylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 114075363
6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine
CID 107266353
N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine
CID 102808091
1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 104854183
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline
CID 114075337
N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine
CID 104854099
4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031823

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine?
The IUPAC name of 6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine (CID 114075588) is 6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine.
What is the SMILES notation for 6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine?
The canonical SMILES for 6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine is Cc1cc(Cl)ccc1CNc1ccc(Cl)nc1C.
What is the InChIKey of 6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine?
The InChIKey is BZUXDJIJWBZTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-9-7-12(15)4-3-11(9)8-17-13-5-6-14(16)18-10(13)2/h3-7,17H,8H2,1-2H3.
What are the key properties of 6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine?
6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine has a molecular weight of 281.19 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine is sourced from PubChem (CID 114075588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).