2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide

C14H18F3N3O — CID 81117715

IUPAC2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)Cc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O/c1-20(8-13(21)19-11-4-5-11)7-9-2-3-10(18)6-12(9)14(15,16)17/h2-3,6,11H,4-5,7-8,18H2,1H3,(H,19,21)
InChIKeyNIGVARZURBFZFM-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.00
Rot. Bonds5

About 2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide

2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide (PubChem CID 81117715) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
PubChem CID81117715
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)Cc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O/c1-20(8-13(21)19-11-4-5-11)7-9-2-3-10(18)6-12(9)14(15,16)17/h2-3,6,11H,4-5,7-8,18H2,1H3,(H,19,21)
InChIKeyNIGVARZURBFZFM-UHFFFAOYSA-N
XLogP2.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[methyl(propyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117342
4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81116864
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 43574823
4-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-3-(trifluoromethyl)aniline
CID 81117841
N-cyclopropyl-2-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-methylamino]acetamide
CID 105351871
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 43575631
N-(cyclopentylcarbamoyl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 55543794
5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol
CID 107198188
2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
CID 62588683
tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate
CID 134576474
N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide
CID 106993665
methyl 2-amino-6-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 104824355

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide (CID 81117715) is 2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)Cc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is NIGVARZURBFZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-20(8-13(21)19-11-4-5-11)7-9-2-3-10(18)6-12(9)14(15,16)17/h2-3,6,11H,4-5,7-8,18H2,1H3,(H,19,21).
What are the key properties of 2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide?
2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 301.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 81117715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).