N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine

C15H19F4NO — CID 107289016

IUPACN-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)c(F)c1)C1CCOCC1
InChIInChI=1S/C15H19F4NO/c1-2-20-14(10-5-7-21-8-6-10)11-3-4-12(13(16)9-11)15(17,18)19/h3-4,9-10,14,20H,2,5-8H2,1H3
InChIKeyQYPFSQDYBDCKPO-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.92
Rot. Bonds4

About N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine

N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine (PubChem CID 107289016) has the molecular formula C15H19F4NO and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine
PubChem CID107289016
Molecular FormulaC15H19F4NO
Molecular Weight305.31 g/mol
Exact Mass305.14
IUPAC NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)c(F)c1)C1CCOCC1
InChIInChI=1S/C15H19F4NO/c1-2-20-14(10-5-7-21-8-6-10)11-3-4-12(13(16)9-11)15(17,18)19/h3-4,9-10,14,20H,2,5-8H2,1H3
InChIKeyQYPFSQDYBDCKPO-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine 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-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192
(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine;hydrochloride
CID 171249564
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 115855875
N-[(4-chloro-2-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 63936493
N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 107993179
N-[(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 113337193
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107289018
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 107291699
N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62907060
N-[(3-bromo-4-methoxyphenyl)-(oxan-4-yl)methyl]ethanamine
CID 55131786
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 62905659
N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 107128810

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine (CID 107289016) is N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine is CCNC(c1ccc(C(F)(F)F)c(F)c1)C1CCOCC1.
What is the InChIKey of N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine?
The InChIKey is QYPFSQDYBDCKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO/c1-2-20-14(10-5-7-21-8-6-10)11-3-4-12(13(16)9-11)15(17,18)19/h3-4,9-10,14,20H,2,5-8H2,1H3.
What are the key properties of N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine?
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine has a molecular weight of 305.31 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 107289016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).