4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol

C13H19NO — CID 110931658

IUPAC4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol
SMILESCC1CN(CCCCO)c2ccccc21
InChIInChI=1S/C13H19NO/c1-11-10-14(8-4-5-9-15)13-7-3-2-6-12(11)13/h2-3,6-7,11,15H,4-5,8-10H2,1H3
InChIKeyVYUCCQBWGNKDKQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.38
Rot. Bonds4

About 4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol

4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol (PubChem CID 110931658) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol
PubChem CID110931658
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol
SMILESCC1CN(CCCCO)c2ccccc21
InChIInChI=1S/C13H19NO/c1-11-10-14(8-4-5-9-15)13-7-3-2-6-12(11)13/h2-3,6-7,11,15H,4-5,8-10H2,1H3
InChIKeyVYUCCQBWGNKDKQ-UHFFFAOYSA-N
XLogP2.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-methyl-2,3-dihydroindole;ethane
CID 143458411
3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-ol
CID 111462384
(3S)-1,3-dimethyl-2,3-dihydroindole
CID 126732143
5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
CID 114336250
1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 75403700
1-(3-methylsulfonylpropyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565784
1-(4-cyanobutyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565678
1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338433
5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
CID 114336464
N-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide
CID 95631124
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid
CID 80566268
2-[1-(4-methylpentyl)-2,3-dihydroindol-3-yl]acetic acid
CID 83157358

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol?
The IUPAC name of 4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol (CID 110931658) is 4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol.
What is the SMILES notation for 4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol?
The canonical SMILES for 4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol is CC1CN(CCCCO)c2ccccc21.
What is the InChIKey of 4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol?
The InChIKey is VYUCCQBWGNKDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-10-14(8-4-5-9-15)13-7-3-2-6-12(11)13/h2-3,6-7,11,15H,4-5,8-10H2,1H3.
What are the key properties of 4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol?
4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol is sourced from PubChem (CID 110931658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).