2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol

C14H19NO — CID 82471951

IUPAC2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol
SMILESCc1[nH]c2ccccc2c1CCC(C)(C)O
InChIInChI=1S/C14H19NO/c1-10-11(8-9-14(2,3)16)12-6-4-5-7-13(12)15-10/h4-7,15-16H,8-9H2,1-3H3
InChIKeyNDJYJPZYHLVKHW-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.18
Rot. Bonds3

About 2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol

2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol (PubChem CID 82471951) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol
PubChem CID82471951
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol
SMILESCc1[nH]c2ccccc2c1CCC(C)(C)O
InChIInChI=1S/C14H19NO/c1-10-11(8-9-14(2,3)16)12-6-4-5-7-13(12)15-10/h4-7,15-16H,8-9H2,1-3H3
InChIKeyNDJYJPZYHLVKHW-UHFFFAOYSA-N
XLogP3.18
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 115263355
N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 96658400
N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 134536528
methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82279050
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol?
The IUPAC name of 2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol (CID 82471951) is 2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol is Cc1[nH]c2ccccc2c1CCC(C)(C)O.
What is the InChIKey of 2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol?
The InChIKey is NDJYJPZYHLVKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-11(8-9-14(2,3)16)12-6-4-5-7-13(12)15-10/h4-7,15-16H,8-9H2,1-3H3.
What are the key properties of 2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol?
2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol has a molecular weight of 217.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol is sourced from PubChem (CID 82471951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).