2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide

C13H19FN2O2 — CID 113270112

IUPAC2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)Nc1cc(OC)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-4-13(2,8-15)12(17)16-11-7-9(18-3)5-6-10(11)14/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyYNOBBCKQVZCAFT-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.15
Rot. Bonds5

About 2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide

2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide (PubChem CID 113270112) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
PubChem CID113270112
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)Nc1cc(OC)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-4-13(2,8-15)12(17)16-11-7-9(18-3)5-6-10(11)14/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyYNOBBCKQVZCAFT-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

chloromethyl N-(2-fluoro-5-methoxyphenyl)carbamate
CID 164660390
4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide
CID 114285613
3-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428951
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide
CID 80599519
tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate
CID 71912014
2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide
CID 114290803
3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride
CID 119788930
tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate
CID 103257490
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119788911
2-carbamothioyl-N-(2-chloro-5-methoxyphenyl)-2-methylbutanamide
CID 114292151
3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
CID 113416369
2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide
CID 114290174

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide (CID 113270112) is 2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide is CCC(C)(CN)C(=O)Nc1cc(OC)ccc1F.
What is the InChIKey of 2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide?
The InChIKey is YNOBBCKQVZCAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-4-13(2,8-15)12(17)16-11-7-9(18-3)5-6-10(11)14/h5-7H,4,8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide?
2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide has a molecular weight of 254.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide is sourced from PubChem (CID 113270112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).