1-(3-chlorophenyl)-N'-pyridin-3-ylethane-1,2-diamine

C13H14ClN3 — CID 69494557

IUPAC1-(3-chlorophenyl)-N'-pyridin-3-ylethane-1,2-diamine
SMILESNC(CNc1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3/c14-11-4-1-3-10(7-11)13(15)9-17-12-5-2-6-16-8-12/h1-8,13,17H,9,15H2
InChIKeyRDVXJHPDWLQPFS-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.85
Rot. Bonds4

About 1-(3-chlorophenyl)-N'-pyridin-3-ylethane-1,2-diamine

1-(3-chlorophenyl)-N'-pyridin-3-ylethane-1,2-diamine (PubChem CID 69494557) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-pyridin-3-ylethane-1,2-diamine
PubChem CID69494557
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name1-(3-chlorophenyl)-N'-pyridin-3-ylethane-1,2-diamine
SMILESNC(CNc1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3/c14-11-4-1-3-10(7-11)13(15)9-17-12-5-2-6-16-8-12/h1-8,13,17H,9,15H2
InChIKeyRDVXJHPDWLQPFS-UHFFFAOYSA-N
XLogP2.85
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 79139531
N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
(2S)-2-amino-2-(3-pyridin-3-ylphenyl)ethanol
CID 66514489
2-amino-2-(3-pyridin-3-ylphenyl)ethanol
CID 22144982
2-(2,5-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 65321274
1-N-(3-chlorophenyl)butane-1,2-diamine
CID 83944476
3-(3-chlorophenyl)-2-pyridin-3-ylpropan-1-amine
CID 83825270
N-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine
CID 169152040
3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine
CID 63016855

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-pyridin-3-ylethane-1,2-diamine (CID 69494557) is 1-(3-chlorophenyl)-N'-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-pyridin-3-ylethane-1,2-diamine is NC(CNc1cccnc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-pyridin-3-ylethane-1,2-diamine?
The InChIKey is RDVXJHPDWLQPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-11-4-1-3-10(7-11)13(15)9-17-12-5-2-6-16-8-12/h1-8,13,17H,9,15H2.
What are the key properties of 1-(3-chlorophenyl)-N'-pyridin-3-ylethane-1,2-diamine?
1-(3-chlorophenyl)-N'-pyridin-3-ylethane-1,2-diamine has a molecular weight of 247.73 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 69494557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).