N-benzyl-2-pyridin-3-ylethanamine

C14H16N2 — CID 60761296

IUPACN-benzyl-2-pyridin-3-ylethanamine
SMILESc1ccc(CNCCc2cccnc2)cc1
InChIInChI=1S/C14H16N2/c1-2-5-13(6-3-1)11-16-10-8-14-7-4-9-15-12-14/h1-7,9,12,16H,8,10-11H2
InChIKeyWEAFOMXQGJKFCZ-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.41
Rot. Bonds5

About N-benzyl-2-pyridin-3-ylethanamine

N-benzyl-2-pyridin-3-ylethanamine (PubChem CID 60761296) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is N-benzyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-benzyl-2-pyridin-3-ylethanamine
PubChem CID60761296
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC NameN-benzyl-2-pyridin-3-ylethanamine
SMILESc1ccc(CNCCc2cccnc2)cc1
InChIInChI=1S/C14H16N2/c1-2-5-13(6-3-1)11-16-10-8-14-7-4-9-15-12-14/h1-7,9,12,16H,8,10-11H2
InChIKeyWEAFOMXQGJKFCZ-UHFFFAOYSA-N
XLogP2.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558
4-[(2-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62215588
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
4-[2-(pyridin-3-ylmethylamino)ethyl]aniline
CID 82257248
N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine
CID 60894639
2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine
CID 60914777
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-pyridin-3-ylethanamine?
The IUPAC name of N-benzyl-2-pyridin-3-ylethanamine (CID 60761296) is N-benzyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-benzyl-2-pyridin-3-ylethanamine?
The canonical SMILES for N-benzyl-2-pyridin-3-ylethanamine is c1ccc(CNCCc2cccnc2)cc1.
What is the InChIKey of N-benzyl-2-pyridin-3-ylethanamine?
The InChIKey is WEAFOMXQGJKFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-5-13(6-3-1)11-16-10-8-14-7-4-9-15-12-14/h1-7,9,12,16H,8,10-11H2.
What are the key properties of N-benzyl-2-pyridin-3-ylethanamine?
N-benzyl-2-pyridin-3-ylethanamine has a molecular weight of 212.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 60761296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).