(6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C35H45NO2 — CID 58035839

IUPAC(6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(Cc1ccc(CCCC2CCCCC2)cc1)c1cc(OC)ccc1[C@@H]1CCc2cc(O)ccc2C1
InChIInChI=1S/C35H45NO2/c1-3-36(25-28-14-12-27(13-15-28)11-7-10-26-8-5-4-6-9-26)35-24-33(38-2)20-21-34(35)31-17-16-30-23-32(37)19-18-29(30)22-31/h12-15,18-21,23-24,26,31,37H,3-11,16-17,22,25H2,1-2H3/t31-/m1/s1
InChIKeyNYYBXNLTOZRLAY-WJOKGBTCSA-N
MW511.75 g/mol
LogP8.60
Rot. Bonds10

About (6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

(6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 58035839) has the molecular formula C35H45NO2 and a molecular weight of 511.75 g/mol. Its IUPAC name is (6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID58035839
Molecular FormulaC35H45NO2
Molecular Weight511.75 g/mol
Exact Mass511.35
IUPAC Name(6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(Cc1ccc(CCCC2CCCCC2)cc1)c1cc(OC)ccc1[C@@H]1CCc2cc(O)ccc2C1
InChIInChI=1S/C35H45NO2/c1-3-36(25-28-14-12-27(13-15-28)11-7-10-26-8-5-4-6-9-26)35-24-33(38-2)20-21-34(35)31-17-16-30-23-32(37)19-18-29(30)22-31/h12-15,18-21,23-24,26,31,37H,3-11,16-17,22,25H2,1-2H3/t31-/m1/s1
InChIKeyNYYBXNLTOZRLAY-WJOKGBTCSA-N
XLogP8.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.75
LogP ≤ 58.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 58035839) is (6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CCN(Cc1ccc(CCCC2CCCCC2)cc1)c1cc(OC)ccc1[C@@H]1CCc2cc(O)ccc2C1.
What is the InChIKey of (6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is NYYBXNLTOZRLAY-WJOKGBTCSA-N. The full InChI is InChI=1S/C35H45NO2/c1-3-36(25-28-14-12-27(13-15-28)11-7-10-26-8-5-4-6-9-26)35-24-33(38-2)20-21-34(35)31-17-16-30-23-32(37)19-18-29(30)22-31/h12-15,18-21,23-24,26,31,37H,3-11,16-17,22,25H2,1-2H3/t31-/m1/s1.
What are the key properties of (6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
(6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 511.75 g/mol, XLogP of 8.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 58035839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).