6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C32H42N2O2 — CID 66628194

IUPAC6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCNC(C)(C)Cc1ccc(CN(CC)c2cc(OC)ccc2C2CCc3cc(O)ccc3C2)cc1
InChIInChI=1S/C32H42N2O2/c1-6-33-32(3,4)21-23-8-10-24(11-9-23)22-34(7-2)31-20-29(36-5)16-17-30(31)27-13-12-26-19-28(35)15-14-25(26)18-27/h8-11,14-17,19-20,27,33,35H,6-7,12-13,18,21-22H2,1-5H3
InChIKeySBWBMAXSUATJAT-UHFFFAOYSA-N
MW486.70 g/mol
LogP6.63
Rot. Bonds10

About 6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 66628194) has the molecular formula C32H42N2O2 and a molecular weight of 486.70 g/mol. Its IUPAC name is 6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID66628194
Molecular FormulaC32H42N2O2
Molecular Weight486.70 g/mol
Exact Mass486.32
IUPAC Name6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCNC(C)(C)Cc1ccc(CN(CC)c2cc(OC)ccc2C2CCc3cc(O)ccc3C2)cc1
InChIInChI=1S/C32H42N2O2/c1-6-33-32(3,4)21-23-8-10-24(11-9-23)22-34(7-2)31-20-29(36-5)16-17-30(31)27-13-12-26-19-28(35)15-14-25(26)18-27/h8-11,14-17,19-20,27,33,35H,6-7,12-13,18,21-22H2,1-5H3
InChIKeySBWBMAXSUATJAT-UHFFFAOYSA-N
XLogP6.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.70
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 66628194) is 6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CCNC(C)(C)Cc1ccc(CN(CC)c2cc(OC)ccc2C2CCc3cc(O)ccc3C2)cc1.
What is the InChIKey of 6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is SBWBMAXSUATJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N2O2/c1-6-33-32(3,4)21-23-8-10-24(11-9-23)22-34(7-2)31-20-29(36-5)16-17-30(31)27-13-12-26-19-28(35)15-14-25(26)18-27/h8-11,14-17,19-20,27,33,35H,6-7,12-13,18,21-22H2,1-5H3.
What are the key properties of 6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 486.70 g/mol, XLogP of 6.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 66628194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).