2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid

C17H18FNO2 — CID 106490661

IUPAC2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid
SMILESNCC(CCc1ccccc1)(C(=O)O)c1ccccc1F
InChIInChI=1S/C17H18FNO2/c18-15-9-5-4-8-14(15)17(12-19,16(20)21)11-10-13-6-2-1-3-7-13/h1-9H,10-12,19H2,(H,20,21)
InChIKeyYKOABERNROGMKC-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.74
Rot. Bonds6

About 2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid

2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid (PubChem CID 106490661) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid
PubChem CID106490661
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid
SMILESNCC(CCc1ccccc1)(C(=O)O)c1ccccc1F
InChIInChI=1S/C17H18FNO2/c18-15-9-5-4-8-14(15)17(12-19,16(20)21)11-10-13-6-2-1-3-7-13/h1-9H,10-12,19H2,(H,20,21)
InChIKeyYKOABERNROGMKC-UHFFFAOYSA-N
XLogP2.74
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid
CID 106490629
2-(aminomethyl)-2-(2-fluorophenyl)-4-methoxybutanoic acid
CID 106490625
2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid
CID 106509167
2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid
CID 106489353
2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid
CID 105466548
ethyl 2-(aminomethyl)-2-(2-fluorophenyl)-5,5-dimethylhexanoate
CID 106490514
2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid
CID 106509081
ethyl 2-(aminomethyl)-2-(2-fluorophenyl)-6-hydroxyhexanoate
CID 106490555
2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid
CID 106488584
2,2-dihydroxy-4-phenylbutanoic acid
CID 54448569
2-amino-1,1-bis(2-fluorophenyl)ethanol
CID 139948069
2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid (CID 106490661) is 2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid is NCC(CCc1ccccc1)(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid?
The InChIKey is YKOABERNROGMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-15-9-5-4-8-14(15)17(12-19,16(20)21)11-10-13-6-2-1-3-7-13/h1-9H,10-12,19H2,(H,20,21).
What are the key properties of 2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid?
2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid has a molecular weight of 287.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid is sourced from PubChem (CID 106490661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).