3-amino-3-(3-fluoro-5-methylphenyl)propanamide

C10H13FN2O — CID 55255925

IUPAC3-amino-3-(3-fluoro-5-methylphenyl)propanamide
SMILESCc1cc(F)cc(C(N)CC(N)=O)c1
InChIInChI=1S/C10H13FN2O/c1-6-2-7(4-8(11)3-6)9(12)5-10(13)14/h2-4,9H,5,12H2,1H3,(H2,13,14)
InChIKeyVZHXCIGLSLZDQN-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.01
Rot. Bonds3

About 3-amino-3-(3-fluoro-5-methylphenyl)propanamide

3-amino-3-(3-fluoro-5-methylphenyl)propanamide (PubChem CID 55255925) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 3-amino-3-(3-fluoro-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(3-fluoro-5-methylphenyl)propanamide
PubChem CID55255925
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name3-amino-3-(3-fluoro-5-methylphenyl)propanamide
SMILESCc1cc(F)cc(C(N)CC(N)=O)c1
InChIInChI=1S/C10H13FN2O/c1-6-2-7(4-8(11)3-6)9(12)5-10(13)14/h2-4,9H,5,12H2,1H3,(H2,13,14)
InChIKeyVZHXCIGLSLZDQN-UHFFFAOYSA-N
XLogP1.01
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(3,4,5-trifluorophenyl)propanamide
CID 63052709
1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 55282781
3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine
CID 82922751
ethyl (3S)-3-amino-3-(3,5-dimethylphenyl)propanoate
CID 78974740
methyl 3-amino-3-(3,5-difluorophenyl)propanoate;hydrochloride
CID 171158674
3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 84790187
(3S)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
CID 29059837
ethyl (3S)-3-amino-3-(3,5-dimethylphenyl)propanoate;hydrochloride
CID 171221735
(3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
CID 29059840
1-(3-fluoro-5-methylphenyl)-4-methylpent-4-en-1-amine
CID 114475629
(1R)-1-(3,5-difluorophenyl)-3-methylbut-3-en-1-amine
CID 131002323
1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 115346054

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-fluoro-5-methylphenyl)propanamide?
The IUPAC name of 3-amino-3-(3-fluoro-5-methylphenyl)propanamide (CID 55255925) is 3-amino-3-(3-fluoro-5-methylphenyl)propanamide.
What is the SMILES notation for 3-amino-3-(3-fluoro-5-methylphenyl)propanamide?
The canonical SMILES for 3-amino-3-(3-fluoro-5-methylphenyl)propanamide is Cc1cc(F)cc(C(N)CC(N)=O)c1.
What is the InChIKey of 3-amino-3-(3-fluoro-5-methylphenyl)propanamide?
The InChIKey is VZHXCIGLSLZDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-6-2-7(4-8(11)3-6)9(12)5-10(13)14/h2-4,9H,5,12H2,1H3,(H2,13,14).
What are the key properties of 3-amino-3-(3-fluoro-5-methylphenyl)propanamide?
3-amino-3-(3-fluoro-5-methylphenyl)propanamide has a molecular weight of 196.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-fluoro-5-methylphenyl)propanamide is sourced from PubChem (CID 55255925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).