(Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol

C24H30F3NO2 — CID 142814273

IUPAC(Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
SMILESCCc1cccc(C(C)(C)CC(O)(C/C(N)=C/c2ccccc2)C(F)(F)F)c1OC
InChIInChI=1S/C24H30F3NO2/c1-5-18-12-9-13-20(21(18)30-4)22(2,3)16-23(29,24(25,26)27)15-19(28)14-17-10-7-6-8-11-17/h6-14,29H,5,15-16,28H2,1-4H3/b19-14-
InChIKeyHRFIGJYQHHSQQM-RGEXLXHISA-N
MW421.50 g/mol
LogP5.61
Rot. Bonds8

About (Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol

(Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol (PubChem CID 142814273) has the molecular formula C24H30F3NO2 and a molecular weight of 421.50 g/mol. Its IUPAC name is (Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol.

Molecular Properties

Compound Name(Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
PubChem CID142814273
Molecular FormulaC24H30F3NO2
Molecular Weight421.50 g/mol
Exact Mass421.22
IUPAC Name(Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
SMILESCCc1cccc(C(C)(C)CC(O)(C/C(N)=C/c2ccccc2)C(F)(F)F)c1OC
InChIInChI=1S/C24H30F3NO2/c1-5-18-12-9-13-20(21(18)30-4)22(2,3)16-23(29,24(25,26)27)15-19(28)14-17-10-7-6-8-11-17/h6-14,29H,5,15-16,28H2,1-4H3/b19-14-
InChIKeyHRFIGJYQHHSQQM-RGEXLXHISA-N
XLogP5.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol 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

(Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
CID 142814251
(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
(Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol
CID 142814297
2-(3-ethyl-2-methoxyphenyl)propan-2-amine
CID 117284071
3-[3-(1,1-difluoroethyl)-2-methoxyphenyl]-2,2-dimethylpropanoic acid
CID 117433409
[3-(1,1-difluoroethyl)-2-methoxyphenyl]methanesulfonyl chloride
CID 117458195
2-amino-3-[2-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117411854
2-(3-tert-butyl-2-methoxyphenyl)acetic acid
CID 21199434
chloromethane;2-[[3-ethyl-2-(ethylamino)pyridin-1-ium-1-yl]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 143024530
(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
ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate
CID 105497849

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol?
The IUPAC name of (Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol (CID 142814273) is (Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol.
What is the SMILES notation for (Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol?
The canonical SMILES for (Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol is CCc1cccc(C(C)(C)CC(O)(C/C(N)=C/c2ccccc2)C(F)(F)F)c1OC.
What is the InChIKey of (Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol?
The InChIKey is HRFIGJYQHHSQQM-RGEXLXHISA-N. The full InChI is InChI=1S/C24H30F3NO2/c1-5-18-12-9-13-20(21(18)30-4)22(2,3)16-23(29,24(25,26)27)15-19(28)14-17-10-7-6-8-11-17/h6-14,29H,5,15-16,28H2,1-4H3/b19-14-.
What are the key properties of (Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol?
(Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol has a molecular weight of 421.50 g/mol, XLogP of 5.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol is sourced from PubChem (CID 142814273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).