1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine

C23H32N2O — CID 68797130

IUPAC1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine
SMILESCCc1cc2c(cc1C(C)N)N(Cc1ccc(OC)cc1)CCC2(C)C
InChIInChI=1S/C23H32N2O/c1-6-18-13-21-22(14-20(18)16(2)24)25(12-11-23(21,3)4)15-17-7-9-19(26-5)10-8-17/h7-10,13-14,16H,6,11-12,15,24H2,1-5H3
InChIKeyKKOMFHQWCXMMLC-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.97
Rot. Bonds5

About 1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine

1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine (PubChem CID 68797130) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine.

Molecular Properties

Compound Name1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine
PubChem CID68797130
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine
SMILESCCc1cc2c(cc1C(C)N)N(Cc1ccc(OC)cc1)CCC2(C)C
InChIInChI=1S/C23H32N2O/c1-6-18-13-21-22(14-20(18)16(2)24)25(12-11-23(21,3)4)15-17-7-9-19(26-5)10-8-17/h7-10,13-14,16H,6,11-12,15,24H2,1-5H3
InChIKeyKKOMFHQWCXMMLC-UHFFFAOYSA-N
XLogP4.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine?
The IUPAC name of 1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine (CID 68797130) is 1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine.
What is the SMILES notation for 1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine?
The canonical SMILES for 1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine is CCc1cc2c(cc1C(C)N)N(Cc1ccc(OC)cc1)CCC2(C)C.
What is the InChIKey of 1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine?
The InChIKey is KKOMFHQWCXMMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-6-18-13-21-22(14-20(18)16(2)24)25(12-11-23(21,3)4)15-17-7-9-19(26-5)10-8-17/h7-10,13-14,16H,6,11-12,15,24H2,1-5H3.
What are the key properties of 1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine?
1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine has a molecular weight of 352.52 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine is sourced from PubChem (CID 68797130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).