3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine

C15H18ClN3 — CID 103275724

IUPAC3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCc1cc(Cl)ccc1CNc1cccnc1N(C)C
InChIInChI=1S/C15H18ClN3/c1-11-9-13(16)7-6-12(11)10-18-14-5-4-8-17-15(14)19(2)3/h4-9,18H,10H2,1-3H3
InChIKeyPSLNANITAHUGLH-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.72
Rot. Bonds4

About 3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine

3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine (PubChem CID 103275724) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
PubChem CID103275724
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCc1cc(Cl)ccc1CNc1cccnc1N(C)C
InChIInChI=1S/C15H18ClN3/c1-11-9-13(16)7-6-12(11)10-18-14-5-4-8-17-15(14)19(2)3/h4-9,18H,10H2,1-3H3
InChIKeyPSLNANITAHUGLH-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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Related Compounds

3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103096855
3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707640
3-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707777
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyridin-3-amine
CID 114842458
3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43784216
3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 55067063
N-[(2,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
CID 79041859
2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol
CID 61263441
6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine
CID 114075588
3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707585
methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate
CID 43784170
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine (CID 103275724) is 3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine is Cc1cc(Cl)ccc1CNc1cccnc1N(C)C.
What is the InChIKey of 3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The InChIKey is PSLNANITAHUGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11-9-13(16)7-6-12(11)10-18-14-5-4-8-17-15(14)19(2)3/h4-9,18H,10H2,1-3H3.
What are the key properties of 3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-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-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 103275724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).