1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine

C19H32N2O — CID 133203032

IUPAC1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine
SMILESCCCCN1c2cc(OC)c(CNC)cc2C(C)CC1(C)C
InChIInChI=1S/C19H32N2O/c1-7-8-9-21-17-11-18(22-6)15(13-20-5)10-16(17)14(2)12-19(21,3)4/h10-11,14,20H,7-9,12-13H2,1-6H3
InChIKeyVWLQHUPCCKGTAW-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.31
Rot. Bonds6

About 1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine

1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine (PubChem CID 133203032) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine
PubChem CID133203032
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine
SMILESCCCCN1c2cc(OC)c(CNC)cc2C(C)CC1(C)C
InChIInChI=1S/C19H32N2O/c1-7-8-9-21-17-11-18(22-6)15(13-20-5)10-16(17)14(2)12-19(21,3)4/h10-11,14,20H,7-9,12-13H2,1-6H3
InChIKeyVWLQHUPCCKGTAW-UHFFFAOYSA-N
XLogP4.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine with MolForge

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Launch Full Analysis

Related Compounds

N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047278
1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine
CID 125047281
1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine
CID 133203028
N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047021
[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methanamine
CID 125046682
1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine
CID 125046947
(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanamine
CID 133203005
(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 125046694
(4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde
CID 99130482
(7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methanamine
CID 133203007
2,2,4,7-tetramethyl-6-nitroso-1-octyl-3,4-dihydroquinoline
CID 59079307
(E)-2-cyano-N-(2-ethylphenyl)-3-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 50863757

Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine (CID 133203032) is 1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine is CCCCN1c2cc(OC)c(CNC)cc2C(C)CC1(C)C.
What is the InChIKey of 1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine?
The InChIKey is VWLQHUPCCKGTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-7-8-9-21-17-11-18(22-6)15(13-20-5)10-16(17)14(2)12-19(21,3)4/h10-11,14,20H,7-9,12-13H2,1-6H3.
What are the key properties of 1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine?
1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine has a molecular weight of 304.48 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine is sourced from PubChem (CID 133203032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).