7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole

C18H27NO — CID 106986429

IUPAC7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
SMILESCOc1cccc2c1NCC2C1CC(C)CC(C)(C)C1
InChIInChI=1S/C18H27NO/c1-12-8-13(10-18(2,3)9-12)15-11-19-17-14(15)6-5-7-16(17)20-4/h5-7,12-13,15,19H,8-11H2,1-4H3
InChIKeyHYZFXAQKKLXPNX-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.67
Rot. Bonds2

About 7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole

7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole (PubChem CID 106986429) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
PubChem CID106986429
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
SMILESCOc1cccc2c1NCC2C1CC(C)CC(C)(C)C1
InChIInChI=1S/C18H27NO/c1-12-8-13(10-18(2,3)9-12)15-11-19-17-14(15)6-5-7-16(17)20-4/h5-7,12-13,15,19H,8-11H2,1-4H3
InChIKeyHYZFXAQKKLXPNX-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986432
3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106820266
5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986426
4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
CID 169499137
5-nitro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986424
8-methoxy-N,N,3-trimethyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275705
3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole
CID 84668692
2-(7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 82276698
8-methoxy-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline
CID 105493234
(3aS,7aR)-4-(2-methoxyphenyl)-6-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol
CID 57207521
4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole
CID 84683089
6-methoxy-4-oxo-3,3a,5,9b-tetrahydro-1H-pyrrolo[3,4-c]quinoline-2-carboxylic acid
CID 69054465

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole?
The IUPAC name of 7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole (CID 106986429) is 7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole is COc1cccc2c1NCC2C1CC(C)CC(C)(C)C1.
What is the InChIKey of 7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole?
The InChIKey is HYZFXAQKKLXPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-12-8-13(10-18(2,3)9-12)15-11-19-17-14(15)6-5-7-16(17)20-4/h5-7,12-13,15,19H,8-11H2,1-4H3.
What are the key properties of 7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole?
7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole has a molecular weight of 273.42 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).