2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol

C15H24N2O — CID 115359011

IUPAC2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
SMILESCN1CCc2cc(CNCC(C)(C)CO)ccc21
InChIInChI=1S/C15H24N2O/c1-15(2,11-18)10-16-9-12-4-5-14-13(8-12)6-7-17(14)3/h4-5,8,16,18H,6-7,9-11H2,1-3H3
InChIKeyUTDKODZULFGMRR-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.79
Rot. Bonds5

About 2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol

2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol (PubChem CID 115359011) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
PubChem CID115359011
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
SMILESCN1CCc2cc(CNCC(C)(C)CO)ccc21
InChIInChI=1S/C15H24N2O/c1-15(2,11-18)10-16-9-12-4-5-14-13(8-12)6-7-17(14)3/h4-5,8,16,18H,6-7,9-11H2,1-3H3
InChIKeyUTDKODZULFGMRR-UHFFFAOYSA-N
XLogP1.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 104625143
N,N,2,2-tetramethyl-N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propane-1,3-diamine
CID 62096477
2-methyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 65031805
tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate
CID 81462941
2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 115756694
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 62070317
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
CID 62094945
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
1-(1-methyl-2,3-dihydroindol-5-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 63247710
2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
CID 113320268

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol (CID 115359011) is 2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol is CN1CCc2cc(CNCC(C)(C)CO)ccc21.
What is the InChIKey of 2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol?
The InChIKey is UTDKODZULFGMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,11-18)10-16-9-12-4-5-14-13(8-12)6-7-17(14)3/h4-5,8,16,18H,6-7,9-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol?
2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 115359011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).