5-(4-ethoxy-3-fluorophenyl)pentan-2-amine

C13H20FNO — CID 116925039

IUPAC5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
SMILESCCOc1ccc(CCCC(C)N)cc1F
InChIInChI=1S/C13H20FNO/c1-3-16-13-8-7-11(9-12(13)14)6-4-5-10(2)15/h7-10H,3-6,15H2,1-2H3
InChIKeyCQKNPVNUQWPPMP-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.89
Rot. Bonds6

About 5-(4-ethoxy-3-fluorophenyl)pentan-2-amine

5-(4-ethoxy-3-fluorophenyl)pentan-2-amine (PubChem CID 116925039) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 5-(4-ethoxy-3-fluorophenyl)pentan-2-amine.

Molecular Properties

Compound Name5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
PubChem CID116925039
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
SMILESCCOc1ccc(CCCC(C)N)cc1F
InChIInChI=1S/C13H20FNO/c1-3-16-13-8-7-11(9-12(13)14)6-4-5-10(2)15/h7-10H,3-6,15H2,1-2H3
InChIKeyCQKNPVNUQWPPMP-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid
CID 115005524
1-(4-ethoxy-3-fluorophenyl)pentan-3-amine
CID 112513194
4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
CID 118847164
5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine
CID 116925225
2-amino-4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 112518372
4-(4-ethoxy-3-fluorophenyl)-3-methylbutan-1-amine
CID 116924857
4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270
4-but-3-enyl-1-ethoxy-2-fluorobenzene
CID 58719105
1-ethoxy-2-fluoro-4-(2-isocyanatoethyl)benzene
CID 95440368
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115195519
2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine
CID 63817515
6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine
CID 83934351

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-3-fluorophenyl)pentan-2-amine?
The IUPAC name of 5-(4-ethoxy-3-fluorophenyl)pentan-2-amine (CID 116925039) is 5-(4-ethoxy-3-fluorophenyl)pentan-2-amine.
What is the SMILES notation for 5-(4-ethoxy-3-fluorophenyl)pentan-2-amine?
The canonical SMILES for 5-(4-ethoxy-3-fluorophenyl)pentan-2-amine is CCOc1ccc(CCCC(C)N)cc1F.
What is the InChIKey of 5-(4-ethoxy-3-fluorophenyl)pentan-2-amine?
The InChIKey is CQKNPVNUQWPPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-16-13-8-7-11(9-12(13)14)6-4-5-10(2)15/h7-10H,3-6,15H2,1-2H3.
What are the key properties of 5-(4-ethoxy-3-fluorophenyl)pentan-2-amine?
5-(4-ethoxy-3-fluorophenyl)pentan-2-amine has a molecular weight of 225.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-3-fluorophenyl)pentan-2-amine is sourced from PubChem (CID 116925039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).