2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine

C14H13ClF2N2 — CID 103049000

IUPAC2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)c1ncccc1F
InChIInChI=1S/C14H13ClF2N2/c1-18-13(14-12(17)3-2-6-19-14)8-9-7-10(15)4-5-11(9)16/h2-7,13,18H,8H2,1H3
InChIKeySGRGTLDWVRVIBC-UHFFFAOYSA-N
MW282.72 g/mol
LogP3.52
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine

2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine (PubChem CID 103049000) has the molecular formula C14H13ClF2N2 and a molecular weight of 282.72 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine
PubChem CID103049000
Molecular FormulaC14H13ClF2N2
Molecular Weight282.72 g/mol
Exact Mass282.07
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)c1ncccc1F
InChIInChI=1S/C14H13ClF2N2/c1-18-13(14-12(17)3-2-6-19-14)8-9-7-10(15)4-5-11(9)16/h2-7,13,18H,8H2,1H3
InChIKeySGRGTLDWVRVIBC-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
CID 103444324
2-(5-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 103048641
1-(3-bromo-2-pyridinyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049088
N-[2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 103048562
2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105190365
2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 103048581
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066303
N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103053112
2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 103052743
1-(4-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066122
2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 79780467
2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine
CID 82730771

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine (CID 103049000) is 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine is CNC(Cc1cc(Cl)ccc1F)c1ncccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine?
The InChIKey is SGRGTLDWVRVIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2/c1-18-13(14-12(17)3-2-6-19-14)8-9-7-10(15)4-5-11(9)16/h2-7,13,18H,8H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine?
2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine has a molecular weight of 282.72 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 103049000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).