2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide

C13H18F2N2O2 — CID 65229370

IUPAC2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
SMILESCCC(CN)C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H18F2N2O2/c1-2-10(7-16)12(18)17-8-9-3-5-11(6-4-9)19-13(14)15/h3-6,10,13H,2,7-8,16H2,1H3,(H,17,18)
InChIKeyUPUCIPYYUQXIJH-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.89
Rot. Bonds7

About 2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide

2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide (PubChem CID 65229370) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
PubChem CID65229370
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
SMILESCCC(CN)C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H18F2N2O2/c1-2-10(7-16)12(18)17-8-9-3-5-11(6-4-9)19-13(14)15/h3-6,10,13H,2,7-8,16H2,1H3,(H,17,18)
InChIKeyUPUCIPYYUQXIJH-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide
CID 79012907
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
(2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide
CID 103831064
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
CID 65229471
2-(aminomethyl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 115186990
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119689663
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
CID 51181469
2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 65230237
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide (CID 65229370) is 2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide is CCC(CN)C(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide?
The InChIKey is UPUCIPYYUQXIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-2-10(7-16)12(18)17-8-9-3-5-11(6-4-9)19-13(14)15/h3-6,10,13H,2,7-8,16H2,1H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide?
2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide has a molecular weight of 272.30 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 65229370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).