2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol

C12H17NO — CID 117198293

IUPAC2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol
SMILESCc1cccc2c1CC(C(C)(C)O)N2
InChIInChI=1S/C12H17NO/c1-8-5-4-6-10-9(8)7-11(13-10)12(2,3)14/h4-6,11,13-14H,7H2,1-3H3
InChIKeyXPJBRAFESZYFKO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.10
Rot. Bonds1

About 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol

2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol (PubChem CID 117198293) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol
PubChem CID117198293
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol
SMILESCc1cccc2c1CC(C(C)(C)O)N2
InChIInChI=1S/C12H17NO/c1-8-5-4-6-10-9(8)7-11(13-10)12(2,3)14/h4-6,11,13-14H,7H2,1-3H3
InChIKeyXPJBRAFESZYFKO-UHFFFAOYSA-N
XLogP2.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 117198627
2-(2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 14668660
(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124706559
5-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 22639040
4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride
CID 127264904
2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid
CID 117198318
N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine
CID 117198308
2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol
CID 117198214
(2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline
CID 124706639
2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole
CID 4562956
2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol
CID 65042828
N,N,5-trimethyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 105444538

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol?
The IUPAC name of 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol (CID 117198293) is 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol is Cc1cccc2c1CC(C(C)(C)O)N2.
What is the InChIKey of 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol?
The InChIKey is XPJBRAFESZYFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-5-4-6-10-9(8)7-11(13-10)12(2,3)14/h4-6,11,13-14H,7H2,1-3H3.
What are the key properties of 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol?
2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol has a molecular weight of 191.27 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol is sourced from PubChem (CID 117198293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).