5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole

C19H23NO — CID 3984067

IUPAC5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole
SMILESCCCCc1ccc2c(c1)CC(c1ccccc1OC)N2
InChIInChI=1S/C19H23NO/c1-3-4-7-14-10-11-17-15(12-14)13-18(20-17)16-8-5-6-9-19(16)21-2/h5-6,8-12,18,20H,3-4,7,13H2,1-2H3
InChIKeyFHWCDUHEWNPPMZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.75
Rot. Bonds5

About 5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole

5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole (PubChem CID 3984067) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole
PubChem CID3984067
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole
SMILESCCCCc1ccc2c(c1)CC(c1ccccc1OC)N2
InChIInChI=1S/C19H23NO/c1-3-4-7-14-10-11-17-15(12-14)13-18(20-17)16-8-5-6-9-19(16)21-2/h5-6,8-12,18,20H,3-4,7,13H2,1-2H3
InChIKeyFHWCDUHEWNPPMZ-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-methoxyphenyl)-2,2-dimethyl-4-{1-[(2E)-pent-2-en-1-yloxy]ethyl}-1,2-dihydroquinoline
CID 9999671
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10021634
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[2-methyl-1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10068183
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)ethyl]-1,2-dihydroquinoline
CID 10247253
4-{1-[(2E)-but-2-en-1-yloxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10316670
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)but-3-en-1-yl]-1,2-dihydroquinoline
CID 10362131
6-(2-Methoxyphenyl)-2,2-dimethyl-4-{1-[(3-methylbut-2-en-1-yl)oxy]ethyl}-1,2-dihydroquinoline
CID 10474749
5-methoxy-2,3-dihydro-1H-indole
CID 10701974
4-(1-Methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 23648072
[2-(2,3-Dihydro-1H-indol-6-yl)-ethyl]-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 10569887
[2-(2,3-Dihydro-1H-indol-5-yl)-ethyl]-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 10712859
1-[2-(2-Methoxyphenyl)phenyl]piperazine
CID 18663036

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole (CID 3984067) is 5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole is CCCCc1ccc2c(c1)CC(c1ccccc1OC)N2.
What is the InChIKey of 5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole?
The InChIKey is FHWCDUHEWNPPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-4-7-14-10-11-17-15(12-14)13-18(20-17)16-8-5-6-9-19(16)21-2/h5-6,8-12,18,20H,3-4,7,13H2,1-2H3.
What are the key properties of 5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole?
5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole has a molecular weight of 281.40 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3984067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).