2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid

C15H22FNO2 — CID 69269638

IUPAC2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid
SMILESCCC(CCc1ccc(F)cc1)CC(CN)C(=O)O
InChIInChI=1S/C15H22FNO2/c1-2-11(9-13(10-17)15(18)19)3-4-12-5-7-14(16)8-6-12/h5-8,11,13H,2-4,9-10,17H2,1H3,(H,18,19)
InChIKeyHEYDKTIOGYVKFH-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.83
Rot. Bonds8

About 2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid

2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid (PubChem CID 69269638) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid
PubChem CID69269638
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid
SMILESCCC(CCc1ccc(F)cc1)CC(CN)C(=O)O
InChIInChI=1S/C15H22FNO2/c1-2-11(9-13(10-17)15(18)19)3-4-12-5-7-14(16)8-6-12/h5-8,11,13H,2-4,9-10,17H2,1H3,(H,18,19)
InChIKeyHEYDKTIOGYVKFH-UHFFFAOYSA-N
XLogP2.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid
CID 69268566
2-(aminomethyl)-6-(3,4-difluorophenyl)-4-ethylhexanoic acid
CID 69269319
2-(aminomethyl)-4-ethyl-6-[4-(trifluoromethoxy)phenyl]hexanoic acid
CID 69268098
2-(aminomethyl)-6-(3,4-dihydroxyphenyl)-4-ethylhexanoic acid
CID 69267514
2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid
CID 69268919
2-(aminomethyl)-6-(3,4-diethoxyphenyl)-4-ethylhexanoic acid
CID 69267130
2-(aminomethyl)-4-ethyl-6-[3-(trifluoromethyl)phenyl]hexanoic acid
CID 69267994
2-(aminomethyl)-6-[2,3-bis(trifluoromethyl)phenyl]-4-ethylhexanoic acid
CID 87760653
2-(aminomethyl)-6-(2,6-dichlorophenyl)-4-ethylhexanoic acid
CID 69269632
2-(aminomethyl)-7-[3,4-bis(trifluoromethyl)phenyl]-4-ethylheptanoic acid
CID 87759817
2-(aminomethyl)-6-[3,5-bis(trifluoromethoxy)phenyl]-4-ethylhexanoic acid
CID 87760722
2-(aminomethyl)-4-ethyl-6-(2,3,5-trimethylphenyl)hexanoic acid
CID 69270674

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid?
The IUPAC name of 2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid (CID 69269638) is 2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid.
What is the SMILES notation for 2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid?
The canonical SMILES for 2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid is CCC(CCc1ccc(F)cc1)CC(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid?
The InChIKey is HEYDKTIOGYVKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-2-11(9-13(10-17)15(18)19)3-4-12-5-7-14(16)8-6-12/h5-8,11,13H,2-4,9-10,17H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid?
2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid has a molecular weight of 267.34 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid is sourced from PubChem (CID 69269638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).