2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole

C23H31NO — CID 130260368

IUPAC2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole
SMILESCOc1ccc(C(C)CCC2Nc3ccc(C(C)C)cc3C2C)cc1
InChIInChI=1S/C23H31NO/c1-15(2)19-9-13-23-21(14-19)17(4)22(24-23)12-6-16(3)18-7-10-20(25-5)11-8-18/h7-11,13-17,22,24H,6,12H2,1-5H3
InChIKeyJDECGRYJTVBEGK-UHFFFAOYSA-N
MW337.51 g/mol
LogP6.30
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole

2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole (PubChem CID 130260368) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole
PubChem CID130260368
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole
SMILESCOc1ccc(C(C)CCC2Nc3ccc(C(C)C)cc3C2C)cc1
InChIInChI=1S/C23H31NO/c1-15(2)19-9-13-23-21(14-19)17(4)22(24-23)12-6-16(3)18-7-10-20(25-5)11-8-18/h7-11,13-17,22,24H,6,12H2,1-5H3
InChIKeyJDECGRYJTVBEGK-UHFFFAOYSA-N
XLogP6.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole
CID 71486083
1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534
6-(4-methoxyphenyl)heptan-3-amine
CID 83932078
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
(5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
CID 70355656
1-(4-bromo-3-methylbutan-2-yl)-4-methoxybenzene
CID 83932073
6-(4-methoxyphenyl)heptan-2-one
CID 101408915
2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole
CID 58125585
1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine
CID 71277666
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole (CID 130260368) is 2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole is COc1ccc(C(C)CCC2Nc3ccc(C(C)C)cc3C2C)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole?
The InChIKey is JDECGRYJTVBEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-15(2)19-9-13-23-21(14-19)17(4)22(24-23)12-6-16(3)18-7-10-20(25-5)11-8-18/h7-11,13-17,22,24H,6,12H2,1-5H3.
What are the key properties of 2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole?
2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole has a molecular weight of 337.51 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 130260368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).