N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine

C14H13ClF2N2 — CID 107995206

IUPACN-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(F)c1)c1ccncc1F
InChIInChI=1S/C14H13ClF2N2/c1-2-19-14(10-5-6-18-8-13(10)17)9-3-4-11(15)12(16)7-9/h3-8,14,19H,2H2,1H3
InChIKeyWFDAHGWJQZHOBB-UHFFFAOYSA-N
MW282.72 g/mol
LogP3.71
Rot. Bonds4

About N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine

N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine (PubChem CID 107995206) has the molecular formula C14H13ClF2N2 and a molecular weight of 282.72 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
PubChem CID107995206
Molecular FormulaC14H13ClF2N2
Molecular Weight282.72 g/mol
Exact Mass282.07
IUPAC NameN-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(F)c1)c1ccncc1F
InChIInChI=1S/C14H13ClF2N2/c1-2-19-14(10-5-6-18-8-13(10)17)9-3-4-11(15)12(16)7-9/h3-8,14,19H,2H2,1H3
InChIKeyWFDAHGWJQZHOBB-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114025401
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine
CID 104738240
N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 105038426
N-[(3-chloro-4-methylphenyl)-(3-methyl-4-pyridinyl)methyl]ethanamine
CID 107560626
N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 116544959
N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038084
N-[(4-chloro-3-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107993159
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038137
N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992930
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038311

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine (CID 107995206) is N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine is CCNC(c1ccc(Cl)c(F)c1)c1ccncc1F.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The InChIKey is WFDAHGWJQZHOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2/c1-2-19-14(10-5-6-18-8-13(10)17)9-3-4-11(15)12(16)7-9/h3-8,14,19H,2H2,1H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine has a molecular weight of 282.72 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 107995206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).