3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine

C15H18ClN3 — CID 106816290

IUPAC3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCc1ccc(CNc2cnccc2N(C)C)cc1Cl
InChIInChI=1S/C15H18ClN3/c1-11-4-5-12(8-13(11)16)9-18-14-10-17-7-6-15(14)19(2)3/h4-8,10,18H,9H2,1-3H3
InChIKeyQQAHQLVKOMRYNB-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.72
Rot. Bonds4

About 3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 106816290) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID106816290
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCc1ccc(CNc2cnccc2N(C)C)cc1Cl
InChIInChI=1S/C15H18ClN3/c1-11-4-5-12(8-13(11)16)9-18-14-10-17-7-6-15(14)19(2)3/h4-8,10,18H,9H2,1-3H3
InChIKeyQQAHQLVKOMRYNB-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine (CID 106816290) is 3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine is Cc1ccc(CNc2cnccc2N(C)C)cc1Cl.
What is the InChIKey of 3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is QQAHQLVKOMRYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11-4-5-12(8-13(11)16)9-18-14-10-17-7-6-15(14)19(2)3/h4-8,10,18H,9H2,1-3H3.
What are the key properties of 3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 275.78 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 106816290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).