3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine

C13H15N3 — CID 43524021

IUPAC3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine
SMILESCC(Nc1cccc(N)c1)c1ccncc1
InChIInChI=1S/C13H15N3/c1-10(11-5-7-15-8-6-11)16-13-4-2-3-12(14)9-13/h2-10,16H,14H2,1H3
InChIKeyWPJTXXUABPXNGH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.84
Rot. Bonds3

About 3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine

3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine (PubChem CID 43524021) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine
PubChem CID43524021
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine
SMILESCC(Nc1cccc(N)c1)c1ccncc1
InChIInChI=1S/C13H15N3/c1-10(11-5-7-15-8-6-11)16-13-4-2-3-12(14)9-13/h2-10,16H,14H2,1H3
InChIKeyWPJTXXUABPXNGH-UHFFFAOYSA-N
XLogP2.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-[1-(4-bromophenyl)ethyl]benzene-1,3-diamine
CID 54965501
3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 40545594
3-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 43193565
5-methoxy-3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine
CID 80723413
3-N-(1-thiophen-3-ylethyl)benzene-1,3-diamine
CID 62841671
3,5-dichloro-N-[(1S)-1-pyridin-4-ylethyl]aniline
CID 40545562
3-(1,3,4-oxadiazol-2-yl)-N-(1-pyridin-4-ylethyl)aniline
CID 43206444
3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 43535637
2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 79467494
(E)-3-(3-aminophenyl)-N-(1-pyridin-4-ylethyl)prop-2-enamide
CID 115342860
3-chloro-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 43524029
3-methyl-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 113333687

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine (CID 43524021) is 3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine is CC(Nc1cccc(N)c1)c1ccncc1.
What is the InChIKey of 3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine?
The InChIKey is WPJTXXUABPXNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10(11-5-7-15-8-6-11)16-13-4-2-3-12(14)9-13/h2-10,16H,14H2,1H3.
What are the key properties of 3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine?
3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 43524021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).