(6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C32H43FN2O3 — CID 90291876

IUPAC(6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1ccc([C@@H]2CCc3cc(O)ccc3C2)c(N(CC2=CCC(C)(OCCN(C)C)C(F)=C2)C(C)C)c1
InChIInChI=1S/C32H43FN2O3/c1-22(2)35(21-23-13-14-32(3,31(33)17-23)38-16-15-34(4)5)30-20-28(37-6)11-12-29(30)26-8-7-25-19-27(36)10-9-24(25)18-26/h9-13,17,19-20,22,26,36H,7-8,14-16,18,21H2,1-6H3/t26-,32?/m1/s1
InChIKeyLNRMPDGKIPALGG-PSPFREQMSA-N
MW522.71 g/mol
LogP6.41
Rot. Bonds10

About (6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

(6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 90291876) has the molecular formula C32H43FN2O3 and a molecular weight of 522.71 g/mol. Its IUPAC name is (6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID90291876
Molecular FormulaC32H43FN2O3
Molecular Weight522.71 g/mol
Exact Mass522.33
IUPAC Name(6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1ccc([C@@H]2CCc3cc(O)ccc3C2)c(N(CC2=CCC(C)(OCCN(C)C)C(F)=C2)C(C)C)c1
InChIInChI=1S/C32H43FN2O3/c1-22(2)35(21-23-13-14-32(3,31(33)17-23)38-16-15-34(4)5)30-20-28(37-6)11-12-29(30)26-8-7-25-19-27(36)10-9-24(25)18-26/h9-13,17,19-20,22,26,36H,7-8,14-16,18,21H2,1-6H3/t26-,32?/m1/s1
InChIKeyLNRMPDGKIPALGG-PSPFREQMSA-N
XLogP6.41
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.71
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 90291876) is (6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is COc1ccc([C@@H]2CCc3cc(O)ccc3C2)c(N(CC2=CCC(C)(OCCN(C)C)C(F)=C2)C(C)C)c1.
What is the InChIKey of (6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is LNRMPDGKIPALGG-PSPFREQMSA-N. The full InChI is InChI=1S/C32H43FN2O3/c1-22(2)35(21-23-13-14-32(3,31(33)17-23)38-16-15-34(4)5)30-20-28(37-6)11-12-29(30)26-8-7-25-19-27(36)10-9-24(25)18-26/h9-13,17,19-20,22,26,36H,7-8,14-16,18,21H2,1-6H3/t26-,32?/m1/s1.
What are the key properties of (6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
(6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 522.71 g/mol, XLogP of 6.41, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[2-[[4-[2-(dimethylamino)ethoxy]-5-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 90291876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).