N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline

C18H22N2O — CID 54806801

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
SMILESCOc1ccccc1NCCN1CCCc2ccccc21
InChIInChI=1S/C18H22N2O/c1-21-18-11-5-3-9-16(18)19-12-14-20-13-6-8-15-7-2-4-10-17(15)20/h2-5,7,9-11,19H,6,8,12-14H2,1H3
InChIKeyKATICOOVAPEECZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.56
Rot. Bonds5

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline (PubChem CID 54806801) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
PubChem CID54806801
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
SMILESCOc1ccccc1NCCN1CCCc2ccccc21
InChIInChI=1S/C18H22N2O/c1-21-18-11-5-3-9-16(18)19-12-14-20-13-6-8-15-7-2-4-10-17(15)20/h2-5,7,9-11,19H,6,8,12-14H2,1H3
InChIKeyKATICOOVAPEECZ-UHFFFAOYSA-N
XLogP3.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2,3-dimethylaniline
CID 54807403
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine
CID 42198281
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 54806928
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132655246
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline
CID 54806693
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 23607928
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine
CID 62574477
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(2-methylpropoxy)aniline
CID 54807100
methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate
CID 79624325

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline (CID 54806801) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline is COc1ccccc1NCCN1CCCc2ccccc21.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline?
The InChIKey is KATICOOVAPEECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-18-11-5-3-9-16(18)19-12-14-20-13-6-8-15-7-2-4-10-17(15)20/h2-5,7,9-11,19H,6,8,12-14H2,1H3.
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline has a molecular weight of 282.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline is sourced from PubChem (CID 54806801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).