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

C16H26N2O — CID 65047506

IUPAC1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
SMILESCOCC(NCc1ccc2c(c1)CCN2C)C(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)15(11-19-4)17-10-13-5-6-16-14(9-13)7-8-18(16)3/h5-6,9,12,15,17H,7-8,10-11H2,1-4H3
InChIKeyNDHSDDZHQXPJOS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds6

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

1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine (PubChem CID 65047506) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
PubChem CID65047506
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
SMILESCOCC(NCc1ccc2c(c1)CCN2C)C(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)15(11-19-4)17-10-13-5-6-16-14(9-13)7-8-18(16)3/h5-6,9,12,15,17H,7-8,10-11H2,1-4H3
InChIKeyNDHSDDZHQXPJOS-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
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

3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 114078771
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
CID 62096505
4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
CID 106156668
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine
CID 62096489
(1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine
CID 81350665
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine
CID 62097585
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine
CID 62097200
(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 81351126

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine (CID 65047506) is 1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine is COCC(NCc1ccc2c(c1)CCN2C)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine?
The InChIKey is NDHSDDZHQXPJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)15(11-19-4)17-10-13-5-6-16-14(9-13)7-8-18(16)3/h5-6,9,12,15,17H,7-8,10-11H2,1-4H3.
What are the key properties of 1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine?
1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 65047506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).