2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid

C10H12FNO2 — CID 138583978

IUPAC2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid
SMILESCC(F)(C(=O)O)c1ccc(CN)cc1
InChIInChI=1S/C10H12FNO2/c1-10(11,9(13)14)8-4-2-7(6-12)3-5-8/h2-5H,6,12H2,1H3,(H,13,14)
InChIKeyJQEBRRMSLPLWAD-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.41
Rot. Bonds3

About 2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid

2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid (PubChem CID 138583978) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid
PubChem CID138583978
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid
SMILESCC(F)(C(=O)O)c1ccc(CN)cc1
InChIInChI=1S/C10H12FNO2/c1-10(11,9(13)14)8-4-2-7(6-12)3-5-8/h2-5H,6,12H2,1H3,(H,13,14)
InChIKeyJQEBRRMSLPLWAD-UHFFFAOYSA-N
XLogP1.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)methanamine;oxalic acid
CID 146079454
(4-ethylphenyl)methanamine;2,2,2-trifluoroacetic acid
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1-[4-(aminomethyl)phenyl]propan-1-one;2,2,2-trifluoroacetic acid
CID 66921022
1-(aminomethyl)-4-[1-carboxy-1-(sulfinatoamino)ethyl]benzene
CID 174773408
(2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol
CID 130627760
2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118395946
[4-(1,1-difluoropropyl)phenyl]methanamine
CID 67499237
ethane;methyl 2-[4-(aminomethyl)phenyl]-2-methylpropanoate
CID 142893315
[4-(2,2-difluoropropyl)phenyl]methanamine
CID 84660094
[4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid
CID 174694781
2-[4-(aminomethyl)phenyl]guanidine;bis(2,2,2-trifluoroacetic acid)
CID 22010103
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid (CID 138583978) is 2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid is CC(F)(C(=O)O)c1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid?
The InChIKey is JQEBRRMSLPLWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-10(11,9(13)14)8-4-2-7(6-12)3-5-8/h2-5H,6,12H2,1H3,(H,13,14).
What are the key properties of 2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid?
2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid has a molecular weight of 197.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid is sourced from PubChem (CID 138583978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).