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

C20H34N2O — CID 125047278

IUPACN-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
SMILESCCCCN1c2cc(OC)c(CNCC)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C20H34N2O/c1-7-9-10-22-18-12-19(23-6)16(14-21-8-2)11-17(18)15(3)13-20(22,4)5/h11-12,15,21H,7-10,13-14H2,1-6H3/t15-/m1/s1
InChIKeyUDXHWUYFMOJTID-OAHLLOKOSA-N
MW318.51 g/mol
LogP4.70
Rot. Bonds7

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

N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine (PubChem CID 125047278) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
PubChem CID125047278
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC NameN-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
SMILESCCCCN1c2cc(OC)c(CNCC)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C20H34N2O/c1-7-9-10-22-18-12-19(23-6)16(14-21-8-2)11-17(18)15(3)13-20(22,4)5/h11-12,15,21H,7-10,13-14H2,1-6H3/t15-/m1/s1
InChIKeyUDXHWUYFMOJTID-OAHLLOKOSA-N
XLogP4.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 54.70
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 N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine?
The IUPAC name of N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine (CID 125047278) is N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine is CCCCN1c2cc(OC)c(CNCC)cc2[C@H](C)CC1(C)C.
What is the InChIKey of N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine?
The InChIKey is UDXHWUYFMOJTID-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H34N2O/c1-7-9-10-22-18-12-19(23-6)16(14-21-8-2)11-17(18)15(3)13-20(22,4)5/h11-12,15,21H,7-10,13-14H2,1-6H3/t15-/m1/s1.
What are the key properties of N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine?
N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine has a molecular weight of 318.51 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine is sourced from PubChem (CID 125047278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).