(Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol

C22H26F3NO2 — CID 142814251

IUPAC(Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
SMILESCOc1ccccc1C(C)(C)CC(O)(C/C(N)=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C22H26F3NO2/c1-20(2,18-11-7-8-12-19(18)28-3)15-21(27,22(23,24)25)14-17(26)13-16-9-5-4-6-10-16/h4-13,27H,14-15,26H2,1-3H3/b17-13-
InChIKeyVKFJGVIPMJBELB-LGMDPLHJSA-N
MW393.45 g/mol
LogP5.05
Rot. Bonds7

About (Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol

(Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol (PubChem CID 142814251) has the molecular formula C22H26F3NO2 and a molecular weight of 393.45 g/mol. Its IUPAC name is (Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol.

Molecular Properties

Compound Name(Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
PubChem CID142814251
Molecular FormulaC22H26F3NO2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name(Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
SMILESCOc1ccccc1C(C)(C)CC(O)(C/C(N)=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C22H26F3NO2/c1-20(2,18-11-7-8-12-19(18)28-3)15-21(27,22(23,24)25)14-17(26)13-16-9-5-4-6-10-16/h4-13,27H,14-15,26H2,1-3H3/b17-13-
InChIKeyVKFJGVIPMJBELB-LGMDPLHJSA-N
XLogP5.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
CID 142814273
(Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol
CID 142814297
(Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
CID 143024680
(Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol
CID 143024467
(6Z,8E,10Z)-6,11-diamino-8-ethylidene-2-(5-fluoro-2-methoxyphenyl)-2-methyl-12-(methylamino)-4-(trifluoromethyl)dodeca-6,10-dien-4-ol
CID 143024393
methyl (3R)-5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 23584372
methyl 5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 71210621
2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
CID 11778513
(Z)-2-amino-1-[2-[ethyl(methyl)amino]-4H-azepin-5-yl]-6-methyl-6-phenyl-4-(trifluoromethyl)hept-1-en-4-ol;ethane
CID 143024450
2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
3-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]benzamide
CID 58959937

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol?
The IUPAC name of (Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol (CID 142814251) is (Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol.
What is the SMILES notation for (Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol?
The canonical SMILES for (Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol is COc1ccccc1C(C)(C)CC(O)(C/C(N)=C/c1ccccc1)C(F)(F)F.
What is the InChIKey of (Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol?
The InChIKey is VKFJGVIPMJBELB-LGMDPLHJSA-N. The full InChI is InChI=1S/C22H26F3NO2/c1-20(2,18-11-7-8-12-19(18)28-3)15-21(27,22(23,24)25)14-17(26)13-16-9-5-4-6-10-16/h4-13,27H,14-15,26H2,1-3H3/b17-13-.
What are the key properties of (Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol?
(Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol has a molecular weight of 393.45 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol is sourced from PubChem (CID 142814251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).