5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydro-1H-inden-1-ol

C30H37NO4 — CID 70363647

IUPAC5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cc2c(cc1OC)C(O)C(CCCN(C)CCc1ccc(OCc3ccccc3)cc1)C2
InChIInChI=1S/C30H37NO4/c1-31(17-15-22-11-13-26(14-12-22)35-21-23-8-5-4-6-9-23)16-7-10-24-18-25-19-28(33-2)29(34-3)20-27(25)30(24)32/h4-6,8-9,11-14,19-20,24,30,32H,7,10,15-18,21H2,1-3H3
InChIKeyLPJCXCAMYXOULF-UHFFFAOYSA-N
MW475.63 g/mol
LogP5.44
Rot. Bonds12

About 5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydro-1H-inden-1-ol

5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 70363647) has the molecular formula C30H37NO4 and a molecular weight of 475.63 g/mol. Its IUPAC name is 5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID70363647
Molecular FormulaC30H37NO4
Molecular Weight475.63 g/mol
Exact Mass475.27
IUPAC Name5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cc2c(cc1OC)C(O)C(CCCN(C)CCc1ccc(OCc3ccccc3)cc1)C2
InChIInChI=1S/C30H37NO4/c1-31(17-15-22-11-13-26(14-12-22)35-21-23-8-5-4-6-9-23)16-7-10-24-18-25-19-28(33-2)29(34-3)20-27(25)30(24)32/h4-6,8-9,11-14,19-20,24,30,32H,7,10,15-18,21H2,1-3H3
InChIKeyLPJCXCAMYXOULF-UHFFFAOYSA-N
XLogP5.44
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]propan-1-amine;hydrochloride
CID 70363973
5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydroinden-1-one
CID 70363847
3-(5,6-dimethoxy-1H-inden-2-yl)-N-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]propan-1-amine
CID 70363653
(1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol
CID 70593836
(4bS,5S,9bS,10S)-2,3,7,8-tetramethoxy-5,10-bis(4-phenylmethoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene
CID 102036173
5-methoxy-2-methyl-6-phenylmethoxy-1-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydroisoindole;hydrochloride
CID 45047887
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-N',N'-diphenylpropane-1,3-diamine
CID 54241094
(3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544355
N-[4-[2-[3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propyl-methylamino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide;hydrochloride
CID 158498374
2,3-dimethoxy-7-[3-[methyl(3-phenylpropyl)amino]propyl]-5,6,8,9-tetrahydrobenzo[7]annulen-7-ol
CID 15622939
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpropan-1-amine
CID 70363619
(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 129404140

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydro-1H-inden-1-ol (CID 70363647) is 5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydro-1H-inden-1-ol is COc1cc2c(cc1OC)C(O)C(CCCN(C)CCc1ccc(OCc3ccccc3)cc1)C2.
What is the InChIKey of 5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is LPJCXCAMYXOULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO4/c1-31(17-15-22-11-13-26(14-12-22)35-21-23-8-5-4-6-9-23)16-7-10-24-18-25-19-28(33-2)29(34-3)20-27(25)30(24)32/h4-6,8-9,11-14,19-20,24,30,32H,7,10,15-18,21H2,1-3H3.
What are the key properties of 5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydro-1H-inden-1-ol?
5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 475.63 g/mol, XLogP of 5.44, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-[3-[methyl-[2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 70363647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).