2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide

C13H18F2N2O2 — CID 114290328

IUPAC2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H18F2N2O2/c1-3-13(2,8-16)11(18)17-9-6-4-5-7-10(9)19-12(14)15/h4-7,12H,3,8,16H2,1-2H3,(H,17,18)
InChIKeyYXXVAIYHYIQAFL-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.60
Rot. Bonds6

About 2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide

2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide (PubChem CID 114290328) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide
PubChem CID114290328
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H18F2N2O2/c1-3-13(2,8-16)11(18)17-9-6-4-5-7-10(9)19-12(14)15/h4-7,12H,3,8,16H2,1-2H3,(H,17,18)
InChIKeyYXXVAIYHYIQAFL-UHFFFAOYSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide
CID 114291079
2-amino-N-[2-(difluoromethoxy)phenyl]-2-methylpentanamide
CID 54928740
N-[2-(difluoromethoxy)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103732374
3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide
CID 81070791
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950713
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
3-[[2-(difluoromethoxy)phenyl]carbamoylamino]-3-methylbutanoic acid
CID 64701229
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyphenoxy)acetamide
CID 7941491
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984705

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide (CID 114290328) is 2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide is CCC(C)(CN)C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide?
The InChIKey is YXXVAIYHYIQAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-3-13(2,8-16)11(18)17-9-6-4-5-7-10(9)19-12(14)15/h4-7,12H,3,8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide?
2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide has a molecular weight of 272.30 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide is sourced from PubChem (CID 114290328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).