N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine

C13H14ClN3 — CID 82131040

IUPACN-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
SMILESNCC(Nc1ccccc1Cl)c1ccncc1
InChIInChI=1S/C13H14ClN3/c14-11-3-1-2-4-12(11)17-13(9-15)10-5-7-16-8-6-10/h1-8,13,17H,9,15H2
InChIKeyOVYHIUCJXCTZTE-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.85
Rot. Bonds4

About N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine

N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine (PubChem CID 82131040) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
PubChem CID82131040
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC NameN-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
SMILESNCC(Nc1ccccc1Cl)c1ccncc1
InChIInChI=1S/C13H14ClN3/c14-11-3-1-2-4-12(11)17-13(9-15)10-5-7-16-8-6-10/h1-8,13,17H,9,15H2
InChIKeyOVYHIUCJXCTZTE-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

N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65377098
N-(3-chloro-4-pyridinyl)-1-phenylethane-1,2-diamine
CID 79840947
1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378132
1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65379394
N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
N-(2,3-dimethylphenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82130067
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712
N-(4-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82131042
1-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378133
N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine
CID 65378756
2-chloro-N-(1-phenylpropyl)aniline
CID 43105652
1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 114843280

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine?
The IUPAC name of N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine (CID 82131040) is N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine?
The canonical SMILES for N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine is NCC(Nc1ccccc1Cl)c1ccncc1.
What is the InChIKey of N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine?
The InChIKey is OVYHIUCJXCTZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-11-3-1-2-4-12(11)17-13(9-15)10-5-7-16-8-6-10/h1-8,13,17H,9,15H2.
What are the key properties of N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine?
N-(2-chlorophenyl)-1-pyridin-4-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 N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine is sourced from PubChem (CID 82131040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).