1-(4-ethoxy-3-fluorophenyl)pentan-3-amine

C13H20FNO — CID 112513194

IUPAC1-(4-ethoxy-3-fluorophenyl)pentan-3-amine
SMILESCCOc1ccc(CCC(N)CC)cc1F
InChIInChI=1S/C13H20FNO/c1-3-11(15)7-5-10-6-8-13(16-4-2)12(14)9-10/h6,8-9,11H,3-5,7,15H2,1-2H3
InChIKeyUTVFPOFKBQGEEZ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.89
Rot. Bonds6

About 1-(4-ethoxy-3-fluorophenyl)pentan-3-amine

1-(4-ethoxy-3-fluorophenyl)pentan-3-amine (PubChem CID 112513194) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorophenyl)pentan-3-amine.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluorophenyl)pentan-3-amine
PubChem CID112513194
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(4-ethoxy-3-fluorophenyl)pentan-3-amine
SMILESCCOc1ccc(CCC(N)CC)cc1F
InChIInChI=1S/C13H20FNO/c1-3-11(15)7-5-10-6-8-13(16-4-2)12(14)9-10/h6,8-9,11H,3-5,7,15H2,1-2H3
InChIKeyUTVFPOFKBQGEEZ-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

5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
CID 116925039
2-amino-4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 112518372
2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid
CID 115005524
6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine
CID 83934351
4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
CID 118847164
4-(4-ethoxy-3-fluorophenyl)-3-methylbutan-1-amine
CID 116924857
4-but-3-enyl-1-ethoxy-2-fluorobenzene
CID 58719105
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115195519
1-ethoxy-2-fluoro-4-(2-isocyanatoethyl)benzene
CID 95440368
5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine
CID 116925225
3-N-[(4-ethoxy-3-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119848
1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine
CID 107290165

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluorophenyl)pentan-3-amine?
The IUPAC name of 1-(4-ethoxy-3-fluorophenyl)pentan-3-amine (CID 112513194) is 1-(4-ethoxy-3-fluorophenyl)pentan-3-amine.
What is the SMILES notation for 1-(4-ethoxy-3-fluorophenyl)pentan-3-amine?
The canonical SMILES for 1-(4-ethoxy-3-fluorophenyl)pentan-3-amine is CCOc1ccc(CCC(N)CC)cc1F.
What is the InChIKey of 1-(4-ethoxy-3-fluorophenyl)pentan-3-amine?
The InChIKey is UTVFPOFKBQGEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-11(15)7-5-10-6-8-13(16-4-2)12(14)9-10/h6,8-9,11H,3-5,7,15H2,1-2H3.
What are the key properties of 1-(4-ethoxy-3-fluorophenyl)pentan-3-amine?
1-(4-ethoxy-3-fluorophenyl)pentan-3-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 1-(4-ethoxy-3-fluorophenyl)pentan-3-amine is sourced from PubChem (CID 112513194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).