3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide

C13H17F3N2O — CID 81071261

IUPAC3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide
SMILESCCC(CN)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-2-9(8-17)7-12(19)18-11-6-4-3-5-10(11)13(14,15)16/h3-6,9H,2,7-8,17H2,1H3,(H,18,19)
InChIKeyIEUKGHGNYQQODQ-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.02
Rot. Bonds5

About 3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide

3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide (PubChem CID 81071261) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide
PubChem CID81071261
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide
SMILESCCC(CN)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-2-9(8-17)7-12(19)18-11-6-4-3-5-10(11)13(14,15)16/h3-6,9H,2,7-8,17H2,1H3,(H,18,19)
InChIKeyIEUKGHGNYQQODQ-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 81079708
3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide
CID 81080185
3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide
CID 81070791
(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 52986036
N-(2-aminophenyl)-3-ethylpentanamide
CID 119422237
3-[[2-(trifluoromethyl)anilino]methyl]pentanoic acid
CID 81067136
2-[3-(aminomethyl)pentanoylamino]-6-chlorobenzoic acid
CID 81079723
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
CID 81071989
2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide
CID 40760123
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide (CID 81071261) is 3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide is CCC(CN)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is IEUKGHGNYQQODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-2-9(8-17)7-12(19)18-11-6-4-3-5-10(11)13(14,15)16/h3-6,9H,2,7-8,17H2,1H3,(H,18,19).
What are the key properties of 3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide?
3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 274.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 81071261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).