4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

C13H17F3N2O — CID 119297081

IUPAC4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)CCCN
InChIInChI=1S/C13H17F3N2O/c1-18(12(19)6-3-7-17)9-10-4-2-5-11(8-10)13(14,15)16/h2,4-5,8H,3,6-7,9,17H2,1H3
InChIKeyDEWONARLMBMXBR-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.40
Rot. Bonds5

About 4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 119297081) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID119297081
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)CCCN
InChIInChI=1S/C13H17F3N2O/c1-18(12(19)6-3-7-17)9-10-4-2-5-11(8-10)13(14,15)16/h2,4-5,8H,3,6-7,9,17H2,1H3
InChIKeyDEWONARLMBMXBR-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119267070
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119737530
4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 78892329
3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119345484
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
2-(2,6-dioxo-1,3-diazinan-1-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 72940877
3-aminopropyl-[2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride
CID 66611801
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119656004
2-[(4-bromophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 112837529
N-benzyl-N-methyl-3-[[N'-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]propanamide
CID 111267971
3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 60988760
N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 102875051

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (CID 119297081) is 4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide is CN(Cc1cccc(C(F)(F)F)c1)C(=O)CCCN.
What is the InChIKey of 4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is DEWONARLMBMXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-18(12(19)6-3-7-17)9-10-4-2-5-11(8-10)13(14,15)16/h2,4-5,8H,3,6-7,9,17H2,1H3.
What are the key properties of 4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 274.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 119297081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).