3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine

C14H22FN — CID 105028201

IUPAC3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine
SMILESCCC(CC)CC(N)c1ccc(C)cc1F
InChIInChI=1S/C14H22FN/c1-4-11(5-2)9-14(16)12-7-6-10(3)8-13(12)15/h6-8,11,14H,4-5,9,16H2,1-3H3
InChIKeyPLYPDDNNPCTIBN-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.96
Rot. Bonds5

About 3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine

3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine (PubChem CID 105028201) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine
PubChem CID105028201
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine
SMILESCCC(CC)CC(N)c1ccc(C)cc1F
InChIInChI=1S/C14H22FN/c1-4-11(5-2)9-14(16)12-7-6-10(3)8-13(12)15/h6-8,11,14H,4-5,9,16H2,1-3H3
InChIKeyPLYPDDNNPCTIBN-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

(1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine
CID 131289236
(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine
CID 131226334
(1S)-1-(2-fluoro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221484
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
(1S)-3-fluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
CID 171221503
1-(2,5-difluorophenyl)-3-ethylpentan-1-amine
CID 82922237
1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine
CID 112631075
1-(2-bromo-3,4-difluorophenyl)-3-ethylpentan-1-amine
CID 107538885
(1S)-1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171221516
(1S,2R)-1-amino-1-(2-fluoro-4-methylphenyl)butan-2-ol
CID 130683149
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115800392

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine?
The IUPAC name of 3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine (CID 105028201) is 3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine.
What is the SMILES notation for 3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine?
The canonical SMILES for 3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine is CCC(CC)CC(N)c1ccc(C)cc1F.
What is the InChIKey of 3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine?
The InChIKey is PLYPDDNNPCTIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-11(5-2)9-14(16)12-7-6-10(3)8-13(12)15/h6-8,11,14H,4-5,9,16H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine?
3-ethyl-1-(2-fluoro-4-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-(2-fluoro-4-methylphenyl)pentan-1-amine is sourced from PubChem (CID 105028201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).