4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine

C14H14ClFN2 — CID 105067407

IUPAC4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine
SMILESCCN(c1cccc(F)c1)c1cnccc1CCl
InChIInChI=1S/C14H14ClFN2/c1-2-18(13-5-3-4-12(16)8-13)14-10-17-7-6-11(14)9-15/h3-8,10H,2,9H2,1H3
InChIKeyOPYSDNVWBVARJO-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.12
Rot. Bonds4

About 4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine

4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine (PubChem CID 105067407) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine
PubChem CID105067407
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine
SMILESCCN(c1cccc(F)c1)c1cnccc1CCl
InChIInChI=1S/C14H14ClFN2/c1-2-18(13-5-3-4-12(16)8-13)14-10-17-7-6-11(14)9-15/h3-8,10H,2,9H2,1H3
InChIKeyOPYSDNVWBVARJO-UHFFFAOYSA-N
XLogP4.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine 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

6-N-ethyl-6-N-(3-fluorophenyl)isoquinoline-5,6-diamine
CID 106947935
[3-(N-ethylanilino)-4-pyridinyl]methanol
CID 105066676
4-(chloromethyl)-N,N-dimethylpyridin-3-amine
CID 105067273
6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine
CID 62480942
[2-(N-ethyl-3-fluoroanilino)-3-fluoro-4-pyridinyl]methanol
CID 105383018
3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 66482587
3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
CID 102750868
3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile
CID 63510151
6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine
CID 115474017
4-chloro-N-ethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine
CID 83157073
N-ethyl-N-(3-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63551209
3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine
CID 79534994

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine?
The IUPAC name of 4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine (CID 105067407) is 4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine.
What is the SMILES notation for 4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine?
The canonical SMILES for 4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine is CCN(c1cccc(F)c1)c1cnccc1CCl.
What is the InChIKey of 4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine?
The InChIKey is OPYSDNVWBVARJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-2-18(13-5-3-4-12(16)8-13)14-10-17-7-6-11(14)9-15/h3-8,10H,2,9H2,1H3.
What are the key properties of 4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine?
4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine has a molecular weight of 264.73 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine is sourced from PubChem (CID 105067407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).