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

C14H19F3N2O — CID 81079708

IUPAC3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-2-10(8-18)7-13(20)19-9-11-5-3-4-6-12(11)14(15,16)17/h3-6,10H,2,7-9,18H2,1H3,(H,19,20)
InChIKeyHICLAMZOPZVGSL-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.70
Rot. Bonds6

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

3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide (PubChem CID 81079708) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
PubChem CID81079708
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-2-10(8-18)7-13(20)19-9-11-5-3-4-6-12(11)14(15,16)17/h3-6,10H,2,7-9,18H2,1H3,(H,19,20)
InChIKeyHICLAMZOPZVGSL-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide
CID 81071261
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide
CID 81070620
5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 82010760
3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 81083953
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029
(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62879432
3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 106112788
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778
2-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanylacetic acid
CID 115580456
2-(N'-hydroxycarbamimidoyl)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 76975567

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide (CID 81079708) is 3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide is CCC(CN)CC(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
The InChIKey is HICLAMZOPZVGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-10(8-18)7-13(20)19-9-11-5-3-4-6-12(11)14(15,16)17/h3-6,10H,2,7-9,18H2,1H3,(H,19,20).
What are the key properties of 3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide has a molecular weight of 288.31 g/mol, XLogP of 2.70, 6 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]methyl]pentanamide is sourced from PubChem (CID 81079708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).