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

C14H14ClFN2 — CID 104930267

IUPAC(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine
SMILESC[C@@H](NCc1cccc(Cl)c1F)c1ccccn1
InChIInChI=1S/C14H14ClFN2/c1-10(13-7-2-3-8-17-13)18-9-11-5-4-6-12(15)14(11)16/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyFRVLCFUMLQVYKK-SNVBAGLBSA-N
MW264.73 g/mol
LogP3.72
Rot. Bonds4

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

(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 104930267) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine
PubChem CID104930267
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine
SMILESC[C@@H](NCc1cccc(Cl)c1F)c1ccccn1
InChIInChI=1S/C14H14ClFN2/c1-10(13-7-2-3-8-17-13)18-9-11-5-4-6-12(15)14(11)16/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyFRVLCFUMLQVYKK-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-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43396923
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 115664149
(1R)-1-(2-bromophenyl)-N-[(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 104930257
1-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 102859822
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051180
(1R)-N-[(2-phenylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 69062118
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
(1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 104868538
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893749

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine (CID 104930267) is (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine is C[C@@H](NCc1cccc(Cl)c1F)c1ccccn1.
What is the InChIKey of (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is FRVLCFUMLQVYKK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-10(13-7-2-3-8-17-13)18-9-11-5-4-6-12(15)14(11)16/h2-8,10,18H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine?
(1R)-N-[(3-chloro-2-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 (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 104930267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).