2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole

C18H21NO2 — CID 3436838

IUPAC2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
SMILESCOc1ccc(OC)c(C2Cc3c(C)ccc(C)c3N2)c1
InChIInChI=1S/C18H21NO2/c1-11-5-6-12(2)18-14(11)10-16(19-18)15-9-13(20-3)7-8-17(15)21-4/h5-9,16,19H,10H2,1-4H3
InChIKeyUPAJKMJFDOFDLK-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.03
Rot. Bonds3

About 2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole

2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole (PubChem CID 3436838) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
PubChem CID3436838
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
SMILESCOc1ccc(OC)c(C2Cc3c(C)ccc(C)c3N2)c1
InChIInChI=1S/C18H21NO2/c1-11-5-6-12(2)18-14(11)10-16(19-18)15-9-13(20-3)7-8-17(15)21-4/h5-9,16,19H,10H2,1-4H3
InChIKeyUPAJKMJFDOFDLK-UHFFFAOYSA-N
XLogP4.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
4,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-indole
CID 4657954
2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
CID 3613734
4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole
CID 3987920
(4R)-4-(2,5-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184283
6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3427840
4-(2-methoxy-5-methylphenyl)azetidin-2-one
CID 66350975
(NE)-N-[(2R,3R,6S)-2,6-bis(2,5-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 7243042
(5R,7S)-7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136668191
4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 5184611
7-chloro-2-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3469469
5-(2,5-dimethoxyphenyl)-2-methylmorpholine
CID 82291906

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole (CID 3436838) is 2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole is COc1ccc(OC)c(C2Cc3c(C)ccc(C)c3N2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole?
The InChIKey is UPAJKMJFDOFDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11-5-6-12(2)18-14(11)10-16(19-18)15-9-13(20-3)7-8-17(15)21-4/h5-9,16,19H,10H2,1-4H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole?
2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole has a molecular weight of 283.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3436838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).