4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine

C13H14ClN3 — CID 54964841

IUPAC4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine
SMILESCC(Nc1ccncc1N)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3/c1-9(10-3-2-4-11(14)7-10)17-13-5-6-16-8-12(13)15/h2-9H,15H2,1H3,(H,16,17)
InChIKeyQLROQGOMTQMKHI-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.49
Rot. Bonds3

About 4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine

4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine (PubChem CID 54964841) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine
PubChem CID54964841
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine
SMILESCC(Nc1ccncc1N)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3/c1-9(10-3-2-4-11(14)7-10)17-13-5-6-16-8-12(13)15/h2-9H,15H2,1H3,(H,16,17)
InChIKeyQLROQGOMTQMKHI-UHFFFAOYSA-N
XLogP3.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 55147569
4-N-[1-(4-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54965311
4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine
CID 61469011
6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
CID 80646586
N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine
CID 43093613
4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide
CID 63356730
2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine
CID 106890129
4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54964707
N-[1-(3-chlorophenyl)ethyl]quinolin-5-amine
CID 43108038
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine (CID 54964841) is 4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine is CC(Nc1ccncc1N)c1cccc(Cl)c1.
What is the InChIKey of 4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine?
The InChIKey is QLROQGOMTQMKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9(10-3-2-4-11(14)7-10)17-13-5-6-16-8-12(13)15/h2-9H,15H2,1H3,(H,16,17).
What are the key properties of 4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine?
4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine has a molecular weight of 247.73 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 54964841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).