2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine

C13H14ClN3 — CID 102809534

IUPAC2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine
SMILESCCN(Cc1ccccn1)c1ccnc(Cl)c1
InChIInChI=1S/C13H14ClN3/c1-2-17(10-11-5-3-4-7-15-11)12-6-8-16-13(14)9-12/h3-9H,2,10H2,1H3
InChIKeyLFVULNCFHPSXRH-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.16
Rot. Bonds4

About 2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine

2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine (PubChem CID 102809534) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine
PubChem CID102809534
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine
SMILESCCN(Cc1ccccn1)c1ccnc(Cl)c1
InChIInChI=1S/C13H14ClN3/c1-2-17(10-11-5-3-4-7-15-11)12-6-8-16-13(14)9-12/h3-9H,2,10H2,1H3
InChIKeyLFVULNCFHPSXRH-UHFFFAOYSA-N
XLogP3.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline
CID 79255784
5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104531868
4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
CID 107084678
6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716058
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
CID 81165802
1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 103590580
4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81273408
3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid
CID 102823195
2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide
CID 102824068
2-[(2-chloro-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 102824069
(1R)-1-[5-[ethyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132096

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine (CID 102809534) is 2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine is CCN(Cc1ccccn1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine?
The InChIKey is LFVULNCFHPSXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-2-17(10-11-5-3-4-7-15-11)12-6-8-16-13(14)9-12/h3-9H,2,10H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine?
2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine has a molecular weight of 247.73 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 102809534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).