(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine

C14H14ClFN2 — CID 102615860

IUPAC(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
SMILESC[C@@H](NCc1cc(F)ccc1Cl)c1cccnc1
InChIInChI=1S/C14H14ClFN2/c1-10(11-3-2-6-17-8-11)18-9-12-7-13(16)4-5-14(12)15/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyPZHGRSJECRAKCX-SNVBAGLBSA-N
MW264.73 g/mol
LogP3.72
Rot. Bonds4

About (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine

(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 102615860) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
PubChem CID102615860
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
SMILESC[C@@H](NCc1cc(F)ccc1Cl)c1cccnc1
InChIInChI=1S/C14H14ClFN2/c1-10(11-3-2-6-17-8-11)18-9-12-7-13(16)4-5-14(12)15/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyPZHGRSJECRAKCX-SNVBAGLBSA-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

N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 112651837
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 102615845
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
CID 102618519
(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655829
N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 104853862
[2-(2-chloro-5-fluorophenyl)-1-pyridin-3-ylethyl]hydrazine
CID 102623237
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43768143
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 102615848
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
(1S)-N-[(2,6-difluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28654981
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 102615853

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine (CID 102615860) is (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine is C[C@@H](NCc1cc(F)ccc1Cl)c1cccnc1.
What is the InChIKey of (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is PZHGRSJECRAKCX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-10(11-3-2-6-17-8-11)18-9-12-7-13(16)4-5-14(12)15/h2-8,10,18H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine?
(1R)-N-[(2-chloro-5-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 (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 102615860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).