2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine

C14H14ClFN2 — CID 54967680

IUPAC2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1cncc(F)c1
InChIInChI=1S/C14H14ClFN2/c1-17-14(11-7-13(16)9-18-8-11)6-10-2-4-12(15)5-3-10/h2-5,7-9,14,17H,6H2,1H3
InChIKeyKECZMAXVOJBACO-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.38
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine

2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine (PubChem CID 54967680) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
PubChem CID54967680
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1cncc(F)c1
InChIInChI=1S/C14H14ClFN2/c1-17-14(11-7-13(16)9-18-8-11)6-10-2-4-12(15)5-3-10/h2-5,7-9,14,17H,6H2,1H3
InChIKeyKECZMAXVOJBACO-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-3-pyridinyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115804514
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105190509
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 103043135
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967967
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
2-(4-chlorophenyl)-N-methyl-1-pyridin-4-ylethanamine
CID 60819195
2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 43482863
N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 105137056
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine
CID 62551241
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103053108
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine (CID 54967680) is 2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1)c1cncc(F)c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The InChIKey is KECZMAXVOJBACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-17-14(11-7-13(16)9-18-8-11)6-10-2-4-12(15)5-3-10/h2-5,7-9,14,17H,6H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine has a molecular weight of 264.73 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 54967680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).