N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide

C14H17F3N2O2 — CID 106297158

IUPACN-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide
SMILESNCC1(NC(=O)c2ccccc2C(F)(F)F)CCOCC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-4-2-1-3-10(11)12(20)19-13(9-18)5-7-21-8-6-13/h1-4H,5-9,18H2,(H,19,20)
InChIKeyLPIYBGWKOWLUOC-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.94
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide

N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide (PubChem CID 106297158) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide
PubChem CID106297158
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide
SMILESNCC1(NC(=O)c2ccccc2C(F)(F)F)CCOCC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-4-2-1-3-10(11)12(20)19-13(9-18)5-7-21-8-6-13/h1-4H,5-9,18H2,(H,19,20)
InChIKeyLPIYBGWKOWLUOC-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(chloromethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide
CID 106300646
N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide
CID 107333140
N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106297118
N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 106297509
N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide
CID 106297306
2-bromo-N-[4-(bromomethyl)oxan-4-yl]benzamide
CID 106304763
N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide
CID 106297128
N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
CID 106297338
N-[1-(aminomethyl)cyclopentyl]naphthalene-1-carboxamide
CID 63753414
N-(1-adamantyl)-2-(trifluoromethyl)benzamide
CID 3118948
N-[2-(oxan-4-ylsulfanyl)ethyl]-2-(trifluoromethyl)benzamide
CID 86265196
N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide
CID 103954290

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide (CID 106297158) is N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide is NCC1(NC(=O)c2ccccc2C(F)(F)F)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is LPIYBGWKOWLUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)11-4-2-1-3-10(11)12(20)19-13(9-18)5-7-21-8-6-13/h1-4H,5-9,18H2,(H,19,20).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide?
N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 302.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 106297158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).