1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine

C18H22N2O — CID 65444601

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
SMILESCOc1ccc(CCN2CCCc3cccc(N)c32)cc1
InChIInChI=1S/C18H22N2O/c1-21-16-9-7-14(8-10-16)11-13-20-12-3-5-15-4-2-6-17(19)18(15)20/h2,4,6-10H,3,5,11-13,19H2,1H3
InChIKeyWMMSXNRMHRTFFW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.27
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine

1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine (PubChem CID 65444601) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
PubChem CID65444601
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
SMILESCOc1ccc(CCN2CCCc3cccc(N)c32)cc1
InChIInChI=1S/C18H22N2O/c1-21-16-9-7-14(8-10-16)11-13-20-12-3-5-15-4-2-6-17(19)18(15)20/h2,4,6-10H,3,5,11-13,19H2,1H3
InChIKeyWMMSXNRMHRTFFW-UHFFFAOYSA-N
XLogP3.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.27
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

1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine
CID 61359358
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
CID 61358971
1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
CID 61493848
1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine
CID 114201164
methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate
CID 114456156
1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine
CID 114456237
3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one
CID 101496392
4-chloro-5-[2-(4-methoxyphenyl)ethyl]-6H-phenanthridine
CID 174930566
3-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-ol
CID 110907937
1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine
CID 114456285
4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-5-one
CID 82296397
[8-methyl-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol
CID 59368748

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine (CID 65444601) is 1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine is COc1ccc(CCN2CCCc3cccc(N)c32)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine?
The InChIKey is WMMSXNRMHRTFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-16-9-7-14(8-10-16)11-13-20-12-3-5-15-4-2-6-17(19)18(15)20/h2,4,6-10H,3,5,11-13,19H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine?
1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine has a molecular weight of 282.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine is sourced from PubChem (CID 65444601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).