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

C13H19FN2O — CID 43211988

IUPAC2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(C)C(N)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(2)12(15)13(17)16(3)8-10-5-4-6-11(14)7-10/h4-7,9,12H,8,15H2,1-3H3
InChIKeyDFYHRFLVRGNCCJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.77
Rot. Bonds4

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

2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 43211988) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
PubChem CID43211988
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(C)C(N)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(2)12(15)13(17)16(3)8-10-5-4-6-11(14)7-10/h4-7,9,12H,8,15H2,1-3H3
InChIKeyDFYHRFLVRGNCCJ-UHFFFAOYSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

(2S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylbutanamide
CID 61164005
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 43211990
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
CID 103830963
4-amino-5-[(3-fluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64895214
2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86985470
(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
CID 79013131
3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111202

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide (CID 43211988) is 2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide is CC(C)C(N)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is DFYHRFLVRGNCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(2)12(15)13(17)16(3)8-10-5-4-6-11(14)7-10/h4-7,9,12H,8,15H2,1-3H3.
What are the key properties of 2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide?
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 238.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 43211988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).