4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide

C13H19FN2O — CID 81070310

IUPAC4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(CN)CC(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-10(8-15)7-13(17)16(2)9-11-5-3-4-6-12(11)14/h3-6,10H,7-9,15H2,1-2H3
InChIKeyMBWWNBPHIOMGQQ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.77
Rot. Bonds5

About 4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide

4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 81070310) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
PubChem CID81070310
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(CN)CC(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-10(8-15)7-13(17)16(2)9-11-5-3-4-6-12(11)14/h3-6,10H,7-9,15H2,1-2H3
InChIKeyMBWWNBPHIOMGQQ-UHFFFAOYSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide
CID 115156426
N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine
CID 81079897
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid
CID 43466993
(3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide
CID 11695925
N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 43458424
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide
CID 81087068
5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
CID 82012605
4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 81075378

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of 4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide (CID 81070310) is 4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for 4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide is CC(CN)CC(=O)N(C)Cc1ccccc1F.
What is the InChIKey of 4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is MBWWNBPHIOMGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(8-15)7-13(17)16(2)9-11-5-3-4-6-12(11)14/h3-6,10H,7-9,15H2,1-2H3.
What are the key properties of 4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide?
4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 238.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 81070310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).