1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine

C18H30N2O — CID 125046947

IUPAC1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine
SMILESCNCc1cc2c(cc1OC)N(C(C)C)C(C)(C)C[C@H]2C
InChIInChI=1S/C18H30N2O/c1-12(2)20-16-9-17(21-7)14(11-19-6)8-15(16)13(3)10-18(20,4)5/h8-9,12-13,19H,10-11H2,1-7H3/t13-/m1/s1
InChIKeyOBGPISXSEMVLSE-CYBMUJFWSA-N
MW290.45 g/mol
LogP3.92
Rot. Bonds4

About 1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine

1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine (PubChem CID 125046947) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine
PubChem CID125046947
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine
SMILESCNCc1cc2c(cc1OC)N(C(C)C)C(C)(C)C[C@H]2C
InChIInChI=1S/C18H30N2O/c1-12(2)20-16-9-17(21-7)14(11-19-6)8-15(16)13(3)10-18(20,4)5/h8-9,12-13,19H,10-11H2,1-7H3/t13-/m1/s1
InChIKeyOBGPISXSEMVLSE-CYBMUJFWSA-N
XLogP3.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.92
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

(7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methanamine
CID 133203007
1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine
CID 133203028
1-(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine
CID 133203032
7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile
CID 133202957
N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047352
N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047021
(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanamine
CID 133203005
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
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methanimine
CID 132654682
(4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile
CID 125046149
1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine
CID 125047281

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine (CID 125046947) is 1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine is CNCc1cc2c(cc1OC)N(C(C)C)C(C)(C)C[C@H]2C.
What is the InChIKey of 1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine?
The InChIKey is OBGPISXSEMVLSE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H30N2O/c1-12(2)20-16-9-17(21-7)14(11-19-6)8-15(16)13(3)10-18(20,4)5/h8-9,12-13,19H,10-11H2,1-7H3/t13-/m1/s1.
What are the key properties of 1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine?
1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine is sourced from PubChem (CID 125046947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).