N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine

C14H14ClFN2 — CID 112651837

IUPACN-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
SMILESCC(NCc1cccc(F)c1Cl)c1cccnc1
InChIInChI=1S/C14H14ClFN2/c1-10(11-5-3-7-17-8-11)18-9-12-4-2-6-13(16)14(12)15/h2-8,10,18H,9H2,1H3
InChIKeyOQGJGLNOHUFMDQ-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.72
Rot. Bonds4

About N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine

N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 112651837) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
PubChem CID112651837
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC NameN-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
SMILESCC(NCc1cccc(F)c1Cl)c1cccnc1
InChIInChI=1S/C14H14ClFN2/c1-10(11-5-3-7-17-8-11)18-9-12-4-2-6-13(16)14(12)15/h2-8,10,18H,9H2,1H3
InChIKeyOQGJGLNOHUFMDQ-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

(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655829
(1S)-N-[(2,6-difluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28654981
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 102615860
N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 104853862
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103954655
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol
CID 112553988
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
CID 81405303
2-fluoro-N'-hydroxy-3-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzenecarboximidamide
CID 107117305
2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28655237
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine (CID 112651837) is N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine is CC(NCc1cccc(F)c1Cl)c1cccnc1.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is OQGJGLNOHUFMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-10(11-5-3-7-17-8-11)18-9-12-4-2-6-13(16)14(12)15/h2-8,10,18H,9H2,1H3.
What are the key properties of N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine?
N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-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-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 112651837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).