[2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine

C17H24N2O — CID 65165629

IUPAC[2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine
SMILESCc1c(C)n(CCC2CCCO2)c2ccc(CN)cc12
InChIInChI=1S/C17H24N2O/c1-12-13(2)19(8-7-15-4-3-9-20-15)17-6-5-14(11-18)10-16(12)17/h5-6,10,15H,3-4,7-9,11,18H2,1-2H3
InChIKeyYGACEZFXFFOTPK-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.29
Rot. Bonds4

About [2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine

[2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine (PubChem CID 65165629) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine.

Molecular Properties

Compound Name[2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine
PubChem CID65165629
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine
SMILESCc1c(C)n(CCC2CCCO2)c2ccc(CN)cc12
InChIInChI=1S/C17H24N2O/c1-12-13(2)19(8-7-15-4-3-9-20-15)17-6-5-14(11-18)10-16(12)17/h5-6,10,15H,3-4,7-9,11,18H2,1-2H3
InChIKeyYGACEZFXFFOTPK-UHFFFAOYSA-N
XLogP3.29
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indole-5-carboxylic acid
CID 65162686
[1-[3-(oxolan-2-yl)propyl]indol-5-yl]methanamine
CID 65164965
[1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine
CID 106731902
[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine
CID 65165019
[1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine
CID 65159867
3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 107073173
[2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine
CID 65173175
2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine
CID 55080127
[4-(oxolan-2-ylmethyl)phenyl]methanamine
CID 174382096
[1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine
CID 94934820
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65158366
[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
CID 65165798

Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine?
The IUPAC name of [2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine (CID 65165629) is [2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine.
What is the SMILES notation for [2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine?
The canonical SMILES for [2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine is Cc1c(C)n(CCC2CCCO2)c2ccc(CN)cc12.
What is the InChIKey of [2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine?
The InChIKey is YGACEZFXFFOTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-13(2)19(8-7-15-4-3-9-20-15)17-6-5-14(11-18)10-16(12)17/h5-6,10,15H,3-4,7-9,11,18H2,1-2H3.
What are the key properties of [2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine?
[2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine has a molecular weight of 272.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine is sourced from PubChem (CID 65165629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).