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

C33H43NO2 — CID 58035862

IUPAC(6R)-6-[2-[[4-(4,4-dimethylpentyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(Cc1ccc(CCCC(C)(C)C)cc1)c1cc(OC)ccc1[C@@H]1CCc2cc(O)ccc2C1
InChIInChI=1S/C33H43NO2/c1-6-34(23-25-11-9-24(10-12-25)8-7-19-33(2,3)4)32-22-30(36-5)17-18-31(32)28-14-13-27-21-29(35)16-15-26(27)20-28/h9-12,15-18,21-22,28,35H,6-8,13-14,19-20,23H2,1-5H3/t28-/m1/s1
InChIKeyIJISGNSAYCBYKM-MUUNZHRXSA-N
MW485.71 g/mol
LogP8.07
Rot. Bonds9

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

(6R)-6-[2-[[4-(4,4-dimethylpentyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 58035862) has the molecular formula C33H43NO2 and a molecular weight of 485.71 g/mol. Its IUPAC name is (6R)-6-[2-[[4-(4,4-dimethylpentyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(6R)-6-[2-[[4-(4,4-dimethylpentyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID58035862
Molecular FormulaC33H43NO2
Molecular Weight485.71 g/mol
Exact Mass485.33
IUPAC Name(6R)-6-[2-[[4-(4,4-dimethylpentyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(Cc1ccc(CCCC(C)(C)C)cc1)c1cc(OC)ccc1[C@@H]1CCc2cc(O)ccc2C1
InChIInChI=1S/C33H43NO2/c1-6-34(23-25-11-9-24(10-12-25)8-7-19-33(2,3)4)32-22-30(36-5)17-18-31(32)28-14-13-27-21-29(35)16-15-26(27)20-28/h9-12,15-18,21-22,28,35H,6-8,13-14,19-20,23H2,1-5H3/t28-/m1/s1
InChIKeyIJISGNSAYCBYKM-MUUNZHRXSA-N
XLogP8.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.71
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-6-[2-[[4-(3-cyclohexylpropyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58035839
6-[2-[ethyl-[[4-[2-(methylamino)ethyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66627844
6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66628194
6-[2-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66626862
(6R)-6-[2-[ethyl-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58023063
(6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66626933
6-[2-[ethyl-[[4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66625589
6-[2-[[4-[2-(dimethylamino)ethyl]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 59293913
6-[2-[ethyl-[[4-[2-(ethylamino)ethyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 174206119
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-5-methoxy-2-[(2S)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]aniline
CID 158340618
6-[2-[ethyl-[[4-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 76651770
6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 76651701

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[2-[[4-(4,4-dimethylpentyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (6R)-6-[2-[[4-(4,4-dimethylpentyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 58035862) is (6R)-6-[2-[[4-(4,4-dimethylpentyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (6R)-6-[2-[[4-(4,4-dimethylpentyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (6R)-6-[2-[[4-(4,4-dimethylpentyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CCN(Cc1ccc(CCCC(C)(C)C)cc1)c1cc(OC)ccc1[C@@H]1CCc2cc(O)ccc2C1.
What is the InChIKey of (6R)-6-[2-[[4-(4,4-dimethylpentyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is IJISGNSAYCBYKM-MUUNZHRXSA-N. The full InChI is InChI=1S/C33H43NO2/c1-6-34(23-25-11-9-24(10-12-25)8-7-19-33(2,3)4)32-22-30(36-5)17-18-31(32)28-14-13-27-21-29(35)16-15-26(27)20-28/h9-12,15-18,21-22,28,35H,6-8,13-14,19-20,23H2,1-5H3/t28-/m1/s1.
What are the key properties of (6R)-6-[2-[[4-(4,4-dimethylpentyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
(6R)-6-[2-[[4-(4,4-dimethylpentyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 485.71 g/mol, XLogP of 8.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[2-[[4-(4,4-dimethylpentyl)phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 58035862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).