4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole

C17H18ClNO — CID 4034685

IUPAC4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
SMILESCCOc1ccccc1C1Cc2c(Cl)ccc(C)c2N1
InChIInChI=1S/C17H18ClNO/c1-3-20-16-7-5-4-6-12(16)15-10-13-14(18)9-8-11(2)17(13)19-15/h4-9,15,19H,3,10H2,1-2H3
InChIKeyCKXNVWFNEUFBPF-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.76
Rot. Bonds3

About 4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole

4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole (PubChem CID 4034685) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
PubChem CID4034685
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
SMILESCCOc1ccccc1C1Cc2c(Cl)ccc(C)c2N1
InChIInChI=1S/C17H18ClNO/c1-3-20-16-7-5-4-6-12(16)15-10-13-14(18)9-8-11(2)17(13)19-15/h4-9,15,19H,3,10H2,1-2H3
InChIKeyCKXNVWFNEUFBPF-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4030559
4,6-dichloro-2-(2-ethoxyphenyl)-2,3-dihydro-1H-indole
CID 4030730
4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole
CID 5042102
(2R)-2-(2-ethoxyphenyl)azetidine
CID 131015812
2-(2-ethoxyphenyl)-2,3-dihydro-1H-benzo[g]indole
CID 5094377
4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3988974
2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 17389892
(2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 171194884
5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 79510801
1-ethoxy-2-(4-methoxycyclohexyl)benzene
CID 171646591
(4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine
CID 83868565
4-(2-ethoxyphenyl)-3-methylpiperidine
CID 66280150

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole (CID 4034685) is 4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole is CCOc1ccccc1C1Cc2c(Cl)ccc(C)c2N1.
What is the InChIKey of 4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole?
The InChIKey is CKXNVWFNEUFBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-3-20-16-7-5-4-6-12(16)15-10-13-14(18)9-8-11(2)17(13)19-15/h4-9,15,19H,3,10H2,1-2H3.
What are the key properties of 4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole?
4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole has a molecular weight of 287.79 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 4034685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).