N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine

C19H32N2O — CID 125047021

IUPACN-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
SMILESCCCN1c2cc(OC)c(CNCC)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C19H32N2O/c1-7-9-21-17-11-18(22-6)15(13-20-8-2)10-16(17)14(3)12-19(21,4)5/h10-11,14,20H,7-9,12-13H2,1-6H3/t14-/m1/s1
InChIKeySCHPQPKUDSXCIR-CQSZACIVSA-N
MW304.48 g/mol
LogP4.31
Rot. Bonds6

About N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine

N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine (PubChem CID 125047021) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
PubChem CID125047021
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
SMILESCCCN1c2cc(OC)c(CNCC)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C19H32N2O/c1-7-9-21-17-11-18(22-6)15(13-20-8-2)10-16(17)14(3)12-19(21,4)5/h10-11,14,20H,7-9,12-13H2,1-6H3/t14-/m1/s1
InChIKeySCHPQPKUDSXCIR-CQSZACIVSA-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 N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine 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
[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methanamine
CID 125046682
1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine
CID 133203032
(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 125046694
(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanamine
CID 133203005
1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine
CID 133203028
N-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine
CID 133203039
(4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde
CID 99130482
1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine
CID 125046947
(4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
CID 99130484
(5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 50863810
(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 N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine?
The IUPAC name of N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine (CID 125047021) is N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine is CCCN1c2cc(OC)c(CNCC)cc2[C@H](C)CC1(C)C.
What is the InChIKey of N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine?
The InChIKey is SCHPQPKUDSXCIR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H32N2O/c1-7-9-21-17-11-18(22-6)15(13-20-8-2)10-16(17)14(3)12-19(21,4)5/h10-11,14,20H,7-9,12-13H2,1-6H3/t14-/m1/s1.
What are the key properties of N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine?
N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine 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 N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine is sourced from PubChem (CID 125047021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).