6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine

C15H18ClN3 — CID 115474027

IUPAC6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine
SMILESCC(C)c1ccc(CNc2nc(Cl)ccc2N)cc1
InChIInChI=1S/C15H18ClN3/c1-10(2)12-5-3-11(4-6-12)9-18-15-13(17)7-8-14(16)19-15/h3-8,10H,9,17H2,1-2H3,(H,18,19)
InChIKeyAGRLWPUCUZBCRV-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.05
Rot. Bonds4

About 6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine

6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine (PubChem CID 115474027) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine
PubChem CID115474027
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine
SMILESCC(C)c1ccc(CNc2nc(Cl)ccc2N)cc1
InChIInChI=1S/C15H18ClN3/c1-10(2)12-5-3-11(4-6-12)9-18-15-13(17)7-8-14(16)19-15/h3-8,10H,9,17H2,1-2H3,(H,18,19)
InChIKeyAGRLWPUCUZBCRV-UHFFFAOYSA-N
XLogP4.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine
CID 115474154
6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine
CID 115474096
6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591315
4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 11254350
[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231936
6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine
CID 115474112
6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine
CID 115474161
6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 115474328
6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 24903980
6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine
CID 115474192
5-chloro-2-N-ethyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 80792892
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine (CID 115474027) is 6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine is CC(C)c1ccc(CNc2nc(Cl)ccc2N)cc1.
What is the InChIKey of 6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine?
The InChIKey is AGRLWPUCUZBCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-10(2)12-5-3-11(4-6-12)9-18-15-13(17)7-8-14(16)19-15/h3-8,10H,9,17H2,1-2H3,(H,18,19).
What are the key properties of 6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine?
6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine has a molecular weight of 275.78 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 115474027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).