4-[2-(pyridin-3-ylmethylamino)ethyl]aniline

C14H17N3 — CID 82257248

IUPAC4-[2-(pyridin-3-ylmethylamino)ethyl]aniline
SMILESNc1ccc(CCNCc2cccnc2)cc1
InChIInChI=1S/C14H17N3/c15-14-5-3-12(4-6-14)7-9-17-11-13-2-1-8-16-10-13/h1-6,8,10,17H,7,9,11,15H2
InChIKeyVFSVIOPZBYYDGW-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.00
Rot. Bonds5

About 4-[2-(pyridin-3-ylmethylamino)ethyl]aniline

4-[2-(pyridin-3-ylmethylamino)ethyl]aniline (PubChem CID 82257248) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[2-(pyridin-3-ylmethylamino)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(pyridin-3-ylmethylamino)ethyl]aniline
PubChem CID82257248
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-[2-(pyridin-3-ylmethylamino)ethyl]aniline
SMILESNc1ccc(CCNCc2cccnc2)cc1
InChIInChI=1S/C14H17N3/c15-14-5-3-12(4-6-14)7-9-17-11-13-2-1-8-16-10-13/h1-6,8,10,17H,7,9,11,15H2
InChIKeyVFSVIOPZBYYDGW-UHFFFAOYSA-N
XLogP2.00
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558
4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide
CID 4718104
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499
4-[4-[2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]aniline
CID 172594310
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
4-[(2-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62215588
1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone
CID 82258214
2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115747393
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyridin-3-ylmethylamino)ethyl]aniline?
The IUPAC name of 4-[2-(pyridin-3-ylmethylamino)ethyl]aniline (CID 82257248) is 4-[2-(pyridin-3-ylmethylamino)ethyl]aniline.
What is the SMILES notation for 4-[2-(pyridin-3-ylmethylamino)ethyl]aniline?
The canonical SMILES for 4-[2-(pyridin-3-ylmethylamino)ethyl]aniline is Nc1ccc(CCNCc2cccnc2)cc1.
What is the InChIKey of 4-[2-(pyridin-3-ylmethylamino)ethyl]aniline?
The InChIKey is VFSVIOPZBYYDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-14-5-3-12(4-6-14)7-9-17-11-13-2-1-8-16-10-13/h1-6,8,10,17H,7,9,11,15H2.
What are the key properties of 4-[2-(pyridin-3-ylmethylamino)ethyl]aniline?
4-[2-(pyridin-3-ylmethylamino)ethyl]aniline has a molecular weight of 227.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyridin-3-ylmethylamino)ethyl]aniline is sourced from PubChem (CID 82257248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).