N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide

C14H19F3N2O — CID 65485514

IUPACN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-4-13(2,3)12(20)19-10-6-5-9(8-18)11(7-10)14(15,16)17/h5-7H,4,8,18H2,1-3H3,(H,19,20)
InChIKeyGHSQMPOZZHEVMK-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.54
Rot. Bonds4

About N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide

N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide (PubChem CID 65485514) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide
PubChem CID65485514
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-4-13(2,3)12(20)19-10-6-5-9(8-18)11(7-10)14(15,16)17/h5-7H,4,8,18H2,1-3H3,(H,19,20)
InChIKeyGHSQMPOZZHEVMK-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide
CID 62677434
4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline
CID 62105465
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide
CID 114873414
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide
CID 65483564
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119675447
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 65484926
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 79156712
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide
CID 65482981
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 79809856
N-[4-(2-bromoethyl)-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 174762130
2-(aminomethyl)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 115431722

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide (CID 65485514) is N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(CN)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide?
The InChIKey is GHSQMPOZZHEVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-4-13(2,3)12(20)19-10-6-5-9(8-18)11(7-10)14(15,16)17/h5-7H,4,8,18H2,1-3H3,(H,19,20).
What are the key properties of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide?
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide has a molecular weight of 288.31 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 65485514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).