3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol

C16H24N2O — CID 115134328

IUPAC3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol
SMILESCN(CCc1c[nH]c2ccccc12)C(C)(C)CCO
InChIInChI=1S/C16H24N2O/c1-16(2,9-11-19)18(3)10-8-13-12-17-15-7-5-4-6-14(13)15/h4-7,12,17,19H,8-11H2,1-3H3
InChIKeyUCXFUSFDXOKGSK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.80
Rot. Bonds6

About 3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol

3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol (PubChem CID 115134328) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol
PubChem CID115134328
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol
SMILESCN(CCc1c[nH]c2ccccc12)C(C)(C)CCO
InChIInChI=1S/C16H24N2O/c1-16(2,9-11-19)18(3)10-8-13-12-17-15-7-5-4-6-14(13)15/h4-7,12,17,19H,8-11H2,1-3H3
InChIKeyUCXFUSFDXOKGSK-UHFFFAOYSA-N
XLogP2.80
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 156836279
CID 156836279
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol
CID 71261395
N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 115263517
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229
3-(4,4-dimethylpentyl)-1H-indole
CID 58756842
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
2-(1H-indol-3-yl)ethyl-methylcyanamide
CID 117029366
2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol
CID 175320113
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375
4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol
CID 106143200
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol?
The IUPAC name of 3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol (CID 115134328) is 3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol is CN(CCc1c[nH]c2ccccc12)C(C)(C)CCO.
What is the InChIKey of 3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol?
The InChIKey is UCXFUSFDXOKGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,9-11-19)18(3)10-8-13-12-17-15-7-5-4-6-14(13)15/h4-7,12,17,19H,8-11H2,1-3H3.
What are the key properties of 3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol?
3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115134328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).