N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine

C14H14ClFN2 — CID 43396923

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine
SMILESCC(NCc1ccc(F)cc1Cl)c1ccccn1
InChIInChI=1S/C14H14ClFN2/c1-10(14-4-2-3-7-17-14)18-9-11-5-6-12(16)8-13(11)15/h2-8,10,18H,9H2,1H3
InChIKeyPZMIAJBSIWXLQU-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.72
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine

N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 43396923) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine
PubChem CID43396923
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine
SMILESCC(NCc1ccc(F)cc1Cl)c1ccccn1
InChIInChI=1S/C14H14ClFN2/c1-10(14-4-2-3-7-17-14)18-9-11-5-6-12(16)8-13(11)15/h2-8,10,18H,9H2,1H3
InChIKeyPZMIAJBSIWXLQU-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 104930267
(1R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377900
(1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 104868538
1-(2-chloro-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401324
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
N-[(2-chloro-4-fluorophenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282271
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051180
(1R)-N-[(4-chloro-2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 81406489
(1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine
CID 81392405

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine (CID 43396923) is N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine is CC(NCc1ccc(F)cc1Cl)c1ccccn1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is PZMIAJBSIWXLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-10(14-4-2-3-7-17-14)18-9-11-5-6-12(16)8-13(11)15/h2-8,10,18H,9H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine?
N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 264.73 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 43396923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).