N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide

C14H19F3N2O2 — CID 103205556

IUPACN-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)N(Cc1ccccc1N)C(=O)COCC(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-10(2)19(7-11-5-3-4-6-12(11)18)13(20)8-21-9-14(15,16)17/h3-6,10H,7-9,18H2,1-2H3
InChIKeyWHGQAZWBQKOKKR-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.58
Rot. Bonds6

About N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide

N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103205556) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103205556
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)N(Cc1ccccc1N)C(=O)COCC(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-10(2)19(7-11-5-3-4-6-12(11)18)13(20)8-21-9-14(15,16)17/h3-6,10H,7-9,18H2,1-2H3
InChIKeyWHGQAZWBQKOKKR-UHFFFAOYSA-N
XLogP2.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
CID 43460336
N-[(2-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384061
N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide
CID 103205555
N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide
CID 63833559
2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 61109635
2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate
CID 28689944
N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(thian-4-yl)acetamide
CID 83136533
2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline
CID 61490610
N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide
CID 43460393
1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700033
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82949298
N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
CID 81116677

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103205556) is N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)N(Cc1ccccc1N)C(=O)COCC(F)(F)F.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is WHGQAZWBQKOKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-10(2)19(7-11-5-3-4-6-12(11)18)13(20)8-21-9-14(15,16)17/h3-6,10H,7-9,18H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 304.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103205556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).