(3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol

C19H23F3N2O2 — CID 70235528

IUPAC(3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol
SMILESCC(O)(CNCc1cccc(C(F)(F)F)c1)[C@@H](N)COc1ccccc1
InChIInChI=1S/C19H23F3N2O2/c1-18(25,17(23)12-26-16-8-3-2-4-9-16)13-24-11-14-6-5-7-15(10-14)19(20,21)22/h2-10,17,24-25H,11-13,23H2,1H3/t17-,18?/m0/s1
InChIKeyOMVGHONJOFBPLX-ZENAZSQFSA-N
MW368.40 g/mol
LogP2.95
Rot. Bonds8

About (3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol

(3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol (PubChem CID 70235528) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is (3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol.

Molecular Properties

Compound Name(3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol
PubChem CID70235528
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name(3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol
SMILESCC(O)(CNCc1cccc(C(F)(F)F)c1)[C@@H](N)COc1ccccc1
InChIInChI=1S/C19H23F3N2O2/c1-18(25,17(23)12-26-16-8-3-2-4-9-16)13-24-11-14-6-5-7-15(10-14)19(20,21)22/h2-10,17,24-25H,11-13,23H2,1H3/t17-,18?/m0/s1
InChIKeyOMVGHONJOFBPLX-ZENAZSQFSA-N
XLogP2.95
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol with MolForge

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Related Compounds

2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 104643670
(1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol
CID 1470711
N-[(3,5-dimethoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine;oxalic acid
CID 17367770
2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 111468367
3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine
CID 62338817
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride
CID 138111629
N-[(3-ethoxyphenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 60957806
1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
(2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 70832697
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
N-benzyl-4-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 18176646

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol?
The IUPAC name of (3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol (CID 70235528) is (3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol.
What is the SMILES notation for (3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol?
The canonical SMILES for (3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol is CC(O)(CNCc1cccc(C(F)(F)F)c1)[C@@H](N)COc1ccccc1.
What is the InChIKey of (3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol?
The InChIKey is OMVGHONJOFBPLX-ZENAZSQFSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c1-18(25,17(23)12-26-16-8-3-2-4-9-16)13-24-11-14-6-5-7-15(10-14)19(20,21)22/h2-10,17,24-25H,11-13,23H2,1H3/t17-,18?/m0/s1.
What are the key properties of (3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol?
(3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol has a molecular weight of 368.40 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2-methyl-4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol is sourced from PubChem (CID 70235528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).