3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine

C14H22FN — CID 82922751

IUPAC3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine
SMILESCCC(CC)CC(N)c1cc(C)cc(F)c1
InChIInChI=1S/C14H22FN/c1-4-11(5-2)8-14(16)12-6-10(3)7-13(15)9-12/h6-7,9,11,14H,4-5,8,16H2,1-3H3
InChIKeyBQGWPDXOBCELCD-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.96
Rot. Bonds5

About 3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine

3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine (PubChem CID 82922751) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine
PubChem CID82922751
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine
SMILESCCC(CC)CC(N)c1cc(C)cc(F)c1
InChIInChI=1S/C14H22FN/c1-4-11(5-2)8-14(16)12-6-10(3)7-13(15)9-12/h6-7,9,11,14H,4-5,8,16H2,1-3H3
InChIKeyBQGWPDXOBCELCD-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 55282781
1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine
CID 115851616
3-amino-3-(3-fluoro-5-methylphenyl)propanamide
CID 55255925
1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 115346054
3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine
CID 105028201
1-(3,5-difluorophenyl)hexan-1-amine
CID 62605213
1-(3-bromo-4-fluorophenyl)-3-ethylpentan-1-amine
CID 82922100
1-(3-fluoro-5-methylphenyl)-4-methylpent-4-en-1-amine
CID 114475629
2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704202
1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 82922686
3-(1-aminopropyl)-5-fluorophenol
CID 55283681
1-(2,5-difluorophenyl)-3-ethylpentan-1-amine
CID 82922237

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine?
The IUPAC name of 3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine (CID 82922751) is 3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine.
What is the SMILES notation for 3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine?
The canonical SMILES for 3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine is CCC(CC)CC(N)c1cc(C)cc(F)c1.
What is the InChIKey of 3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine?
The InChIKey is BQGWPDXOBCELCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-11(5-2)8-14(16)12-6-10(3)7-13(15)9-12/h6-7,9,11,14H,4-5,8,16H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine?
3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine has a molecular weight of 223.33 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine is sourced from PubChem (CID 82922751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).