N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine

C14H13ClF2N2 — CID 103444649

IUPACN-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)c1ncccc1Cl
InChIInChI=1S/C14H13ClF2N2/c1-2-18-13(14-11(15)4-3-7-19-14)10-8-9(16)5-6-12(10)17/h3-8,13,18H,2H2,1H3
InChIKeyAJDYQVXLXQBLPJ-UHFFFAOYSA-N
MW282.72 g/mol
LogP3.71
Rot. Bonds4

About N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine

N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine (PubChem CID 103444649) has the molecular formula C14H13ClF2N2 and a molecular weight of 282.72 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine
PubChem CID103444649
Molecular FormulaC14H13ClF2N2
Molecular Weight282.72 g/mol
Exact Mass282.07
IUPAC NameN-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)c1ncccc1Cl
InChIInChI=1S/C14H13ClF2N2/c1-2-18-13(14-11(15)4-3-7-19-14)10-8-9(16)5-6-12(10)17/h3-8,13,18H,2H2,1H3
InChIKeyAJDYQVXLXQBLPJ-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

N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103444609
N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 103444897
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine
CID 103444391
N-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 105395357
N-[(2,4-difluorophenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 62801368
N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine
CID 103444575
N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490184
N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490220
N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 103444648
N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 103444844
N-[(3-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]ethanamine
CID 80644379

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine (CID 103444649) is N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine is CCNC(c1cc(F)ccc1F)c1ncccc1Cl.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine?
The InChIKey is AJDYQVXLXQBLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2/c1-2-18-13(14-11(15)4-3-7-19-14)10-8-9(16)5-6-12(10)17/h3-8,13,18H,2H2,1H3.
What are the key properties of N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine?
N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)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-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 103444649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).