2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

C15H21F3N2O — CID 81312040

IUPAC2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)Cc1ccccc1CN
InChIInChI=1S/C15H21F3N2O/c1-11(2)9-20(10-15(16,17)18)14(21)7-12-5-3-4-6-13(12)8-19/h3-6,11H,7-10,19H2,1-2H3
InChIKeyVFDXACCVRAPSKT-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.73
Rot. Bonds6

About 2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81312040) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81312040
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)Cc1ccccc1CN
InChIInChI=1S/C15H21F3N2O/c1-11(2)9-20(10-15(16,17)18)14(21)7-12-5-3-4-6-13(12)8-19/h3-6,11H,7-10,19H2,1-2H3
InChIKeyVFDXACCVRAPSKT-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60947544
2-benzylsulfanyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86998537
2-amino-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62488944
2-[2-(aminomethyl)phenyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107479418
2-tert-butylsulfanyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78877747
N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858682
3-(3-aminophenyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 80694736
3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 62230601
2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 81321874
2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60779660
2-[4-(aminomethyl)phenyl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 63589444
2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide
CID 81317798

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 81312040) is 2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CN(CC(F)(F)F)C(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VFDXACCVRAPSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11(2)9-20(10-15(16,17)18)14(21)7-12-5-3-4-6-13(12)8-19/h3-6,11H,7-10,19H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 302.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81312040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).