2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole

C19H23NO — CID 3403694

IUPAC2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole
SMILESCOc1ccc(C2Cc3cccc(C(C)C)c3N2)cc1C
InChIInChI=1S/C19H23NO/c1-12(2)16-7-5-6-15-11-17(20-19(15)16)14-8-9-18(21-4)13(3)10-14/h5-10,12,17,20H,11H2,1-4H3
InChIKeyHKYRJWMGYQIVTD-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.84
Rot. Bonds3

About 2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole

2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole (PubChem CID 3403694) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole
PubChem CID3403694
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole
SMILESCOc1ccc(C2Cc3cccc(C(C)C)c3N2)cc1C
InChIInChI=1S/C19H23NO/c1-12(2)16-7-5-6-15-11-17(20-19(15)16)14-8-9-18(21-4)13(3)10-14/h5-10,12,17,20H,11H2,1-4H3
InChIKeyHKYRJWMGYQIVTD-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 5224986
2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3347331
2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole
CID 3430415
2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3984068
7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 3269433
(2R)-2-(4-methoxy-3-methylphenyl)azetidine
CID 130665442
5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 4311958
2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3552722
7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3404384
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole
CID 82276811
5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 4014810

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole (CID 3403694) is 2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole is COc1ccc(C2Cc3cccc(C(C)C)c3N2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole?
The InChIKey is HKYRJWMGYQIVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-12(2)16-7-5-6-15-11-17(20-19(15)16)14-8-9-18(21-4)13(3)10-14/h5-10,12,17,20H,11H2,1-4H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole?
2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole has a molecular weight of 281.40 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3403694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).