4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline

C17H20N2O — CID 63670067

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline
SMILESCCOc1cc(N2CCCc3ccccc32)ccc1N
InChIInChI=1S/C17H20N2O/c1-2-20-17-12-14(9-10-15(17)18)19-11-5-7-13-6-3-4-8-16(13)19/h3-4,6,8-10,12H,2,5,7,11,18H2,1H3
InChIKeyPGVJELHZQGWEKB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.75
Rot. Bonds3

About 4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline

4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline (PubChem CID 63670067) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline
PubChem CID63670067
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline
SMILESCCOc1cc(N2CCCc3ccccc32)ccc1N
InChIInChI=1S/C17H20N2O/c1-2-20-17-12-14(9-10-15(17)18)19-11-5-7-13-6-3-4-8-16(13)19/h3-4,6,8-10,12H,2,5,7,11,18H2,1H3
InChIKeyPGVJELHZQGWEKB-UHFFFAOYSA-N
XLogP3.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydroindol-1-yl)-2-methoxyaniline
CID 63672438
4-(1,3-dihydroisoindol-2-yl)-2-ethoxyaniline
CID 63676090
1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline
CID 67553271
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
1-[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylphenyl]-N-methylmethanamine
CID 62134837
(Z)-3-(3-amino-4-ethoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 94760311
1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline
CID 28946417
7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine
CID 178094699
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid
CID 62136292
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethoxyphenyl)-6-methylpyrimidin-2-amine
CID 112927865
3-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]propan-1-amine
CID 82304536
1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride
CID 20994507

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline (CID 63670067) is 4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline is CCOc1cc(N2CCCc3ccccc32)ccc1N.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline?
The InChIKey is PGVJELHZQGWEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-20-17-12-14(9-10-15(17)18)19-11-5-7-13-6-3-4-8-16(13)19/h3-4,6,8-10,12H,2,5,7,11,18H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline?
4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline has a molecular weight of 268.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline is sourced from PubChem (CID 63670067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).