N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine

C13H13Cl2N3 — CID 60875712

IUPACN-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(N)cc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3/c1-18(8-9-2-4-11(16)5-3-9)13-12(15)6-10(14)7-17-13/h2-7H,8,16H2,1H3
InChIKeyHLUMDFPXLZCSIK-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.61
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine

N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine (PubChem CID 60875712) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine
PubChem CID60875712
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC NameN-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(N)cc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3/c1-18(8-9-2-4-11(16)5-3-9)13-12(15)6-10(14)7-17-13/h2-7H,8,16H2,1H3
InChIKeyHLUMDFPXLZCSIK-UHFFFAOYSA-N
XLogP3.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 60875723
2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine
CID 82480063
3-chloro-N,5-dimethyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 70610903
2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 62475698
3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 55025705
3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114836684
N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103582930
5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 172881704
3-chloro-N-methyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 55059008
N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine
CID 114836415
5-amino-6-[(4-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440229
4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 43458300

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine (CID 60875712) is N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine is CN(Cc1ccc(N)cc1)c1ncc(Cl)cc1Cl.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine?
The InChIKey is HLUMDFPXLZCSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-18(8-9-2-4-11(16)5-3-9)13-12(15)6-10(14)7-17-13/h2-7H,8,16H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine?
N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine has a molecular weight of 282.17 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine is sourced from PubChem (CID 60875712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).