3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide

C13H18F2N2O2 — CID 81070791

IUPAC3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide
SMILESCCC(CN)CC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H18F2N2O2/c1-2-9(8-16)7-12(18)17-10-5-3-4-6-11(10)19-13(14)15/h3-6,9,13H,2,7-8,16H2,1H3,(H,17,18)
InChIKeyFOCSYUBHBIDDNT-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.60
Rot. Bonds7

About 3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide

3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide (PubChem CID 81070791) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide
PubChem CID81070791
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide
SMILESCCC(CN)CC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H18F2N2O2/c1-2-9(8-16)7-12(18)17-10-5-3-4-6-11(10)19-13(14)15/h3-6,9,13H,2,7-8,16H2,1H3,(H,17,18)
InChIKeyFOCSYUBHBIDDNT-UHFFFAOYSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide
CID 81080185
3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide
CID 81071261
N-[2-(difluoromethoxy)phenyl]-3-hydroxy-3-phenylpropanamide
CID 110883082
3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide
CID 114254689
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyphenoxy)acetamide
CID 7941491
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide
CID 114290328
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665
N-[2-(difluoromethoxy)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 78991445
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950713
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8613385
3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
CID 81071989

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide (CID 81070791) is 3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide is CCC(CN)CC(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of 3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide?
The InChIKey is FOCSYUBHBIDDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-2-9(8-16)7-12(18)17-10-5-3-4-6-11(10)19-13(14)15/h3-6,9,13H,2,7-8,16H2,1H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide?
3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide has a molecular weight of 272.29 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide is sourced from PubChem (CID 81070791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).