(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine

C14H14ClFN2 — CID 81405552

IUPAC(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
SMILESC[C@@H](NCc1ccc(F)c(Cl)c1)c1ccncc1
InChIInChI=1S/C14H14ClFN2/c1-10(12-4-6-17-7-5-12)18-9-11-2-3-14(16)13(15)8-11/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyUIPAMLOBMPCQSB-SNVBAGLBSA-N
MW264.73 g/mol
LogP3.72
Rot. Bonds4

About (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine

(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 81405552) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
PubChem CID81405552
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
SMILESC[C@@H](NCc1ccc(F)c(Cl)c1)c1ccncc1
InChIInChI=1S/C14H14ClFN2/c1-10(12-4-6-17-7-5-12)18-9-11-2-3-14(16)13(15)8-11/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyUIPAMLOBMPCQSB-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

(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350945
(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406046
N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181011
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405869
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406292
1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 82889677
1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43200190
2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 81406203
N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 65316008
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64990503
1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43223896
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 63420735

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine (CID 81405552) is (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine is C[C@@H](NCc1ccc(F)c(Cl)c1)c1ccncc1.
What is the InChIKey of (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is UIPAMLOBMPCQSB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-10(12-4-6-17-7-5-12)18-9-11-2-3-14(16)13(15)8-11/h2-8,10,18H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine?
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-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-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81405552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).