2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide

C12H17FN2O — CID 43649648

IUPAC2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-3-11(14)12(16)15(2)8-9-6-4-5-7-10(9)13/h4-7,11H,3,8,14H2,1-2H3
InChIKeyXGMLBICNMQKJQY-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.52
Rot. Bonds4

About 2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide

2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide (PubChem CID 43649648) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
PubChem CID43649648
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-3-11(14)12(16)15(2)8-9-6-4-5-7-10(9)13/h4-7,11H,3,8,14H2,1-2H3
InChIKeyXGMLBICNMQKJQY-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide
CID 43650342
2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983321
N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76925666
N-[(2-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
CID 4803955
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
2-(diethylamino)-N-[(2-fluorophenyl)methyl]-N-methyl-2-phenylacetamide
CID 56545318
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 78769021
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
CID 119274507
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 79024645
(2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 31138547

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide?
The IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide (CID 43649648) is 2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide is CCC(N)C(=O)N(C)Cc1ccccc1F.
What is the InChIKey of 2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide?
The InChIKey is XGMLBICNMQKJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-11(14)12(16)15(2)8-9-6-4-5-7-10(9)13/h4-7,11H,3,8,14H2,1-2H3.
What are the key properties of 2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide?
2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide has a molecular weight of 224.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 43649648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).