N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine

C15H22N2O — CID 62096486

IUPACN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCN1CCc2cc(CNCC3CCCO3)ccc21
InChIInChI=1S/C15H22N2O/c1-17-7-6-13-9-12(4-5-15(13)17)10-16-11-14-3-2-8-18-14/h4-5,9,14,16H,2-3,6-8,10-11H2,1H3
InChIKeyDCHOFIJZAZDERZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.95
Rot. Bonds4

About N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 62096486) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID62096486
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCN1CCc2cc(CNCC3CCCO3)ccc21
InChIInChI=1S/C15H22N2O/c1-17-7-6-13-9-12(4-5-15(13)17)10-16-11-14-3-2-8-18-14/h4-5,9,14,16H,2-3,6-8,10-11H2,1H3
InChIKeyDCHOFIJZAZDERZ-UHFFFAOYSA-N
XLogP1.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
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

1-(4-ethylmorpholin-2-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine
CID 115756743
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 62095490
2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 82725756
N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55228585
4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125778
1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine
CID 103838354
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine
CID 107386248
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66398506
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 62096486) is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine is CN1CCc2cc(CNCC3CCCO3)ccc21.
What is the InChIKey of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is DCHOFIJZAZDERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-7-6-13-9-12(4-5-15(13)17)10-16-11-14-3-2-8-18-14/h4-5,9,14,16H,2-3,6-8,10-11H2,1H3.
What are the key properties of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 246.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 62096486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).