N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine

C15H16Cl2N2 — CID 45486197

IUPACN-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine
SMILESCCCCNc1ccc(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C15H16Cl2N2/c1-2-3-9-18-14-8-7-11(10-19-14)12-5-4-6-13(16)15(12)17/h4-8,10H,2-3,9H2,1H3,(H,18,19)
InChIKeyGZCOADUJIGQWGB-UHFFFAOYSA-N
MW295.21 g/mol
LogP5.27
Rot. Bonds5

About N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine

N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine (PubChem CID 45486197) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine
PubChem CID45486197
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC NameN-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine
SMILESCCCCNc1ccc(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C15H16Cl2N2/c1-2-3-9-18-14-8-7-11(10-19-14)12-5-4-6-13(16)15(12)17/h4-8,10H,2-3,9H2,1H3,(H,18,19)
InChIKeyGZCOADUJIGQWGB-UHFFFAOYSA-N
XLogP5.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Chloropyramine
CID 25295
Chloropyramine Hydrochloride
CID 80311
N-((4-chlorophenyl)methyl)pyridin-2-amine
CID 89881
6-(2,3-Dichlorophenyl)-N4-methylpyrimidine-2,4-diamine
CID 73441664
6-(4-Amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 118238298
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-5-phenylpyridin-2-amine
CID 11496213
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-4-phenylpyridin-2-amine
CID 11568725
(4-Chloro-benzyl)-(4-methyl-pyridin-2-yl)-amine
CID 975620
N-p-Chlorobenzyl-N',N'-dimethyl-N-2-pyridylethylenediamine hydrochloride
CID 25294
1-(5-Chloropyridin-2-yl)-3-(2-phenylethyl)thiourea
CID 3001255
4-(4-Chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 1487468
5-(3,4-Dichlorophenyl)pyrimidine-2,4-diamine
CID 9859862

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine?
The IUPAC name of N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine (CID 45486197) is N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine.
What is the SMILES notation for N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine?
The canonical SMILES for N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine is CCCCNc1ccc(-c2cccc(Cl)c2Cl)cn1.
What is the InChIKey of N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine?
The InChIKey is GZCOADUJIGQWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-2-3-9-18-14-8-7-11(10-19-14)12-5-4-6-13(16)15(12)17/h4-8,10H,2-3,9H2,1H3,(H,18,19).
What are the key properties of N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine?
N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine has a molecular weight of 295.21 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine is sourced from PubChem (CID 45486197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).