3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine

C16H26N2O — CID 62097585

IUPAC3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine
SMILESCOCC(C)CNCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C16H26N2O/c1-13(12-19-3)10-17-11-14-6-7-16-15(9-14)5-4-8-18(16)2/h6-7,9,13,17H,4-5,8,10-12H2,1-3H3
InChIKeyUPJGILJQKBQVEP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds6

About 3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine

3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine (PubChem CID 62097585) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine
PubChem CID62097585
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine
SMILESCOCC(C)CNCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C16H26N2O/c1-13(12-19-3)10-17-11-14-6-7-16-15(9-14)5-4-8-18(16)2/h6-7,9,13,17H,4-5,8,10-12H2,1-3H3
InChIKeyUPJGILJQKBQVEP-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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine (CID 62097585) is 3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine is COCC(C)CNCc1ccc2c(c1)CCCN2C.
What is the InChIKey of 3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine?
The InChIKey is UPJGILJQKBQVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(12-19-3)10-17-11-14-6-7-16-15(9-14)5-4-8-18(16)2/h6-7,9,13,17H,4-5,8,10-12H2,1-3H3.
What are the key properties of 3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine?
3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-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 3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 62097585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).