2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide

C12H17FN2O — CID 114290174

IUPAC2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-3-12(2,8-14)11(16)15-10-6-4-5-9(13)7-10/h4-7H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyTUINLHSGBFTSPW-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.14
Rot. Bonds4

About 2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide

2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide (PubChem CID 114290174) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide
PubChem CID114290174
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-3-12(2,8-14)11(16)15-10-6-4-5-9(13)7-10/h4-7H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyTUINLHSGBFTSPW-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
CID 62734848
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide
CID 115432410
2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79791972
N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969376
2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide
CID 115431812
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003187
2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide
CID 119758108
ethyl 2-[(3-fluorophenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537667
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
N-ethyl-N'-(3-fluorophenyl)propanediamide
CID 67472700
2-ethyl-2-(3-fluoroanilino)butanoic acid
CID 60993028
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide
CID 115431854

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide (CID 114290174) is 2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide is CCC(C)(CN)C(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide?
The InChIKey is TUINLHSGBFTSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-12(2,8-14)11(16)15-10-6-4-5-9(13)7-10/h4-7H,3,8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide?
2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide has a molecular weight of 224.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide is sourced from PubChem (CID 114290174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).