4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine

C14H16ClN3 — CID 113367580

IUPAC4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine
SMILESCNc1cc(N(C)Cc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C14H16ClN3/c1-16-14-9-13(7-8-17-14)18(2)10-11-3-5-12(15)6-4-11/h3-9H,10H2,1-2H3,(H,16,17)
InChIKeyHOAFAELGGGTVOM-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.41
Rot. Bonds4

About 4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine

4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine (PubChem CID 113367580) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine
PubChem CID113367580
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine
SMILESCNc1cc(N(C)Cc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C14H16ClN3/c1-16-14-9-13(7-8-17-14)18(2)10-11-3-5-12(15)6-4-11/h3-9H,10H2,1-2H3,(H,16,17)
InChIKeyHOAFAELGGGTVOM-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 102824052
[4-[(4-chlorophenyl)methyl-methylamino]-2-pyridinyl]methanol
CID 61415178
4-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212691
4-[(N,3-dimethylanilino)methyl]-N-methylpyridin-2-amine
CID 62470893
4-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 62464462
4-N-ethyl-2-N-methyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-diamine
CID 113367608
4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961121
2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
CID 113367846
N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 62164890
4-N-[(4-chlorophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123911
3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212134
2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 61413503

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine (CID 113367580) is 4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine is CNc1cc(N(C)Cc2ccc(Cl)cc2)ccn1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine?
The InChIKey is HOAFAELGGGTVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-16-14-9-13(7-8-17-14)18(2)10-11-3-5-12(15)6-4-11/h3-9H,10H2,1-2H3,(H,16,17).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine?
4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine has a molecular weight of 261.76 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine is sourced from PubChem (CID 113367580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).