2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine

C18H20F3NO — CID 10829751

IUPAC2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCOC(CN[C@@H](C)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3NO/c1-13(14-7-4-3-5-8-14)22-12-17(23-2)15-9-6-10-16(11-15)18(19,20)21/h3-11,13,17,22H,12H2,1-2H3/t13-,17?/m0/s1
InChIKeyGPXNSUXWJFVQIL-CWQZNGJJSA-N
MW323.36 g/mol
LogP4.74
Rot. Bonds6

About 2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine

2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 10829751) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID10829751
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCOC(CN[C@@H](C)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3NO/c1-13(14-7-4-3-5-8-14)22-12-17(23-2)15-9-6-10-16(11-15)18(19,20)21/h3-11,13,17,22H,12H2,1-2H3/t13-,17?/m0/s1
InChIKeyGPXNSUXWJFVQIL-CWQZNGJJSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]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

(2S,3S)-3-((3,5-Bis(trifluoromethyl)phenyl)methoxy)-2-phenylpiperidine
CID 132846
Flumexadol
CID 65774
Oxaflozane
CID 432824
L-733,060 hydrochloride
CID 11957600
2-(Benzylamino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647917
2-{[(2-Methylphenyl)methyl]amino}-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647918
(1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentanamine
CID 9891865
(R)-3-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-N-benzyl-3-phenylcyclobutanamine
CID 10128366
(S)-2-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-phenylpiperidine
CID 11712457
Fludorex
CID 27139
2-(3-Fluorophenyl)-3-methylmorpholine
CID 54673723
3-Benzyloxy-2-phenyl-piperidine
CID 44331794

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 10829751) is 2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine is COC(CN[C@@H](C)c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is GPXNSUXWJFVQIL-CWQZNGJJSA-N. The full InChI is InChI=1S/C18H20F3NO/c1-13(14-7-4-3-5-8-14)22-12-17(23-2)15-9-6-10-16(11-15)18(19,20)21/h3-11,13,17,22H,12H2,1-2H3/t13-,17?/m0/s1.
What are the key properties of 2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine?
2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 323.36 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 10829751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).