4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine

C17H28N2O — CID 104625143

IUPAC4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
SMILESCOCCC(C)(C)CNCc1ccc2c(c1)CCN2C
InChIInChI=1S/C17H28N2O/c1-17(2,8-10-20-4)13-18-12-14-5-6-16-15(11-14)7-9-19(16)3/h5-6,11,18H,7-10,12-13H2,1-4H3
InChIKeySACGGYYTKWDKRV-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.83
Rot. Bonds7

About 4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine

4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine (PubChem CID 104625143) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
PubChem CID104625143
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
SMILESCOCCC(C)(C)CNCc1ccc2c(c1)CCN2C
InChIInChI=1S/C17H28N2O/c1-17(2,8-10-20-4)13-18-12-14-5-6-16-15(11-14)7-9-19(16)3/h5-6,11,18H,7-10,12-13H2,1-4H3
InChIKeySACGGYYTKWDKRV-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.83
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

2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 115359011
N,N,2,2-tetramethyl-N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propane-1,3-diamine
CID 62096477
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
N-(2-methoxyethyl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 64867290
3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine
CID 62097585
1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 65047506
tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate
CID 81462941
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
CID 113320268
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
2,2-dimethoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 62096866

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine?
The IUPAC name of 4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine (CID 104625143) is 4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine?
The canonical SMILES for 4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine is COCCC(C)(C)CNCc1ccc2c(c1)CCN2C.
What is the InChIKey of 4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine?
The InChIKey is SACGGYYTKWDKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,8-10-20-4)13-18-12-14-5-6-16-15(11-14)7-9-19(16)3/h5-6,11,18H,7-10,12-13H2,1-4H3.
What are the key properties of 4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine?
4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 104625143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).