5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine

C14H14ClFN2O — CID 79727218

IUPAC5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine
SMILESCCOc1cccc(CNc2ncc(Cl)cc2F)c1
InChIInChI=1S/C14H14ClFN2O/c1-2-19-12-5-3-4-10(6-12)8-17-14-13(16)7-11(15)9-18-14/h3-7,9H,2,8H2,1H3,(H,17,18)
InChIKeyPQKPRZPASVZTBF-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.88
Rot. Bonds5

About 5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine

5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine (PubChem CID 79727218) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine
PubChem CID79727218
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine
SMILESCCOc1cccc(CNc2ncc(Cl)cc2F)c1
InChIInChI=1S/C14H14ClFN2O/c1-2-19-12-5-3-4-10(6-12)8-17-14-13(16)7-11(15)9-18-14/h3-7,9H,2,8H2,1H3,(H,17,18)
InChIKeyPQKPRZPASVZTBF-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103738561
2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline
CID 60873888
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 60615873
2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 17208568
4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 56920573
2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide
CID 86778558
5-[(3-ethoxyphenyl)methylamino]-2-fluorobenzonitrile
CID 62316098
4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]benzonitrile
CID 79727723
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598676
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline
CID 60871982

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine (CID 79727218) is 5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine is CCOc1cccc(CNc2ncc(Cl)cc2F)c1.
What is the InChIKey of 5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine?
The InChIKey is PQKPRZPASVZTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-2-19-12-5-3-4-10(6-12)8-17-14-13(16)7-11(15)9-18-14/h3-7,9H,2,8H2,1H3,(H,17,18).
What are the key properties of 5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine?
5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine has a molecular weight of 280.73 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 79727218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).