N-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine

C19H20ClN3 — CID 152656916

IUPACN-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine
SMILESClC1(c2cccnc2)NC=CC=C1CCNCc1ccccc1
InChIInChI=1S/C19H20ClN3/c20-19(18-9-4-11-21-15-18)17(8-5-12-23-19)10-13-22-14-16-6-2-1-3-7-16/h1-9,11-12,15,22-23H,10,13-14H2
InChIKeyZISGBOLQERDMFI-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.70
Rot. Bonds6

About N-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine

N-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine (PubChem CID 152656916) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine
PubChem CID152656916
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC NameN-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine
SMILESClC1(c2cccnc2)NC=CC=C1CCNCc1ccccc1
InChIInChI=1S/C19H20ClN3/c20-19(18-9-4-11-21-15-18)17(8-5-12-23-19)10-13-22-14-16-6-2-1-3-7-16/h1-9,11-12,15,22-23H,10,13-14H2
InChIKeyZISGBOLQERDMFI-UHFFFAOYSA-N
XLogP3.70
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558
4-[(2-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62215588
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 110653671
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
4-[2-(pyridin-3-ylmethylamino)ethyl]aniline
CID 82257248
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 2049800
2-pyridin-3-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416226

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine?
The IUPAC name of N-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine (CID 152656916) is N-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine.
What is the SMILES notation for N-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine?
The canonical SMILES for N-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine is ClC1(c2cccnc2)NC=CC=C1CCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine?
The InChIKey is ZISGBOLQERDMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c20-19(18-9-4-11-21-15-18)17(8-5-12-23-19)10-13-22-14-16-6-2-1-3-7-16/h1-9,11-12,15,22-23H,10,13-14H2.
What are the key properties of N-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine?
N-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine has a molecular weight of 325.84 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine is sourced from PubChem (CID 152656916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).