2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid

C17H18FNO2 — CID 106490943

IUPAC2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1CC(CN)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c1-12-4-2-3-5-13(12)10-17(11-19,16(20)21)14-6-8-15(18)9-7-14/h2-9H,10-11,19H2,1H3,(H,20,21)
InChIKeySVKIMZHSAROAED-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.66
Rot. Bonds5

About 2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid

2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid (PubChem CID 106490943) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid
PubChem CID106490943
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1CC(CN)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c1-12-4-2-3-5-13(12)10-17(11-19,16(20)21)14-6-8-15(18)9-7-14/h2-9H,10-11,19H2,1H3,(H,20,21)
InChIKeySVKIMZHSAROAED-UHFFFAOYSA-N
XLogP2.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
CID 106489346
2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid
CID 106509102
2-(aminomethyl)-2-(4-fluorophenyl)heptanoic acid
CID 106490980
2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid
CID 106490906
2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid
CID 106489364
2-(aminomethyl)-2-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propanoic acid
CID 106490936
2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 106509265
2-(aminomethyl)-2-(4-fluorophenyl)-5-methylsulfonylpentanoic acid
CID 106490929
2-methyl-2-[(2-methylphenyl)methyl]butanoic acid
CID 62740104
2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid
CID 106509167
2-(aminomethyl)-3-(6-methyl-2-pyridinyl)-2-phenylpropanoic acid
CID 106489334
2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid
CID 106490902

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid (CID 106490943) is 2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid is Cc1ccccc1CC(CN)(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid?
The InChIKey is SVKIMZHSAROAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-4-2-3-5-13(12)10-17(11-19,16(20)21)14-6-8-15(18)9-7-14/h2-9H,10-11,19H2,1H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid?
2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid has a molecular weight of 287.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 106490943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).