1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine

C14H14ClFN2 — CID 82889677

IUPAC1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCC(NCc1ccncc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H14ClFN2/c1-10(12-2-3-13(15)14(16)8-12)18-9-11-4-6-17-7-5-11/h2-8,10,18H,9H2,1H3
InChIKeyBAHKJPSUPLDAKQ-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.72
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine

1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 82889677) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID82889677
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCC(NCc1ccncc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H14ClFN2/c1-10(12-2-3-13(15)14(16)8-12)18-9-11-4-6-17-7-5-11/h2-8,10,18H,9H2,1H3
InChIKeyBAHKJPSUPLDAKQ-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

N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 63420735
1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43223896
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 82889413
1-(4-chloro-3-fluorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 82887406
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405552
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81357069
(1R)-1-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]ethanamine
CID 78921742
1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine
CID 83069464
N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine
CID 43200174
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylethanamine
CID 78950457
1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43200190

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine (CID 82889677) is 1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine is CC(NCc1ccncc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is BAHKJPSUPLDAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-10(12-2-3-13(15)14(16)8-12)18-9-11-4-6-17-7-5-11/h2-8,10,18H,9H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine?
1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine 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 1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 82889677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).