[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol

C15H22N2O — CID 71261395

IUPAC[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol
SMILESCC(C)CN(CO)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H22N2O/c1-12(2)10-17(11-18)8-7-13-9-16-15-6-4-3-5-14(13)15/h3-6,9,12,16,18H,7-8,10-11H2,1-2H3
InChIKeyKMOWQGCDMSYFRR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.62
Rot. Bonds6

About [2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol

[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol (PubChem CID 71261395) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol
PubChem CID71261395
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol
SMILESCC(C)CN(CO)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H22N2O/c1-12(2)10-17(11-18)8-7-13-9-16-15-6-4-3-5-14(13)15/h3-6,9,12,16,18H,7-8,10-11H2,1-2H3
InChIKeyKMOWQGCDMSYFRR-UHFFFAOYSA-N
XLogP2.62
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine
CID 53494545
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol
CID 175320113
N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine
CID 168947075
2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42772039
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229
3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115134328
2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol
CID 59737412
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 42772049
1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine
CID 162773405
2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
CID 155409418
CID 156836279
CID 156836279

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol?
The IUPAC name of [2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol (CID 71261395) is [2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol.
What is the SMILES notation for [2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol?
The canonical SMILES for [2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol is CC(C)CN(CO)CCc1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol?
The InChIKey is KMOWQGCDMSYFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(2)10-17(11-18)8-7-13-9-16-15-6-4-3-5-14(13)15/h3-6,9,12,16,18H,7-8,10-11H2,1-2H3.
What are the key properties of [2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol?
[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol has a molecular weight of 246.35 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol is sourced from PubChem (CID 71261395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).