1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol

C12H17NO — CID 117200787

IUPAC1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol
SMILESCc1ccc2c(c1)CC(CC(C)O)N2
InChIInChI=1S/C12H17NO/c1-8-3-4-12-10(5-8)7-11(13-12)6-9(2)14/h3-5,9,11,13-14H,6-7H2,1-2H3
InChIKeyCOJFTXKZPNIKIE-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.10
Rot. Bonds2

About 1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol

1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol (PubChem CID 117200787) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol
PubChem CID117200787
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol
SMILESCc1ccc2c(c1)CC(CC(C)O)N2
InChIInChI=1S/C12H17NO/c1-8-3-4-12-10(5-8)7-11(13-12)6-9(2)14/h3-5,9,11,13-14H,6-7H2,1-2H3
InChIKeyCOJFTXKZPNIKIE-UHFFFAOYSA-N
XLogP2.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

(5-methyl-2,3-dihydro-1H-indol-2-yl)methanamine
CID 83860472
3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine
CID 83867014
1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine
CID 117201101
2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole
CID 65041975
2-(2-methylbutyl)-2,3-dihydro-1H-indole
CID 65042120
2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol
CID 102526168
[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
CID 131181494
ethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate
CID 123645338
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
[(2R)-5-iodo-2,3-dihydro-1H-indol-2-yl]methanol
CID 130722404
ethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol
CID 143127907
6-methyl-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine
CID 105456821

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol?
The IUPAC name of 1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol (CID 117200787) is 1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol?
The canonical SMILES for 1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol is Cc1ccc2c(c1)CC(CC(C)O)N2.
What is the InChIKey of 1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol?
The InChIKey is COJFTXKZPNIKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-3-4-12-10(5-8)7-11(13-12)6-9(2)14/h3-5,9,11,13-14H,6-7H2,1-2H3.
What are the key properties of 1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol?
1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol has a molecular weight of 191.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol is sourced from PubChem (CID 117200787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).