5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine

C14H14ClFN2O — CID 103738561

IUPAC5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
SMILESCOc1cccc(CCNc2ncc(Cl)cc2F)c1
InChIInChI=1S/C14H14ClFN2O/c1-19-12-4-2-3-10(7-12)5-6-17-14-13(16)8-11(15)9-18-14/h2-4,7-9H,5-6H2,1H3,(H,17,18)
InChIKeyJVCOXSDBJSXLKF-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.54
Rot. Bonds5

About 5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine

5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine (PubChem CID 103738561) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
PubChem CID103738561
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
SMILESCOc1cccc(CCNc2ncc(Cl)cc2F)c1
InChIInChI=1S/C14H14ClFN2O/c1-19-12-4-2-3-10(7-12)5-6-17-14-13(16)8-11(15)9-18-14/h2-4,7-9H,5-6H2,1H3,(H,17,18)
InChIKeyJVCOXSDBJSXLKF-UHFFFAOYSA-N
XLogP3.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103741704
5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 79727218
6-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-3-amine
CID 23440804
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
CID 107845206
2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 154628241
N-(2,6-difluorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192723
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 39402896
3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107845304
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 107854257
5-chloro-3-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130478073
4-N-(3-chloro-4-fluorophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895295

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine (CID 103738561) is 5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine is COc1cccc(CCNc2ncc(Cl)cc2F)c1.
What is the InChIKey of 5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine?
The InChIKey is JVCOXSDBJSXLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-19-12-4-2-3-10(7-12)5-6-17-14-13(16)8-11(15)9-18-14/h2-4,7-9H,5-6H2,1H3,(H,17,18).
What are the key properties of 5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine?
5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine has a molecular weight of 280.73 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 103738561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).