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

C21H28N2O — CID 54807100

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(2-methylpropoxy)aniline
SMILESCC(C)COc1ccc(NCCN2CCCc3ccccc32)cc1
InChIInChI=1S/C21H28N2O/c1-17(2)16-24-20-11-9-19(10-12-20)22-13-15-23-14-5-7-18-6-3-4-8-21(18)23/h3-4,6,8-12,17,22H,5,7,13-16H2,1-2H3
InChIKeyGOUHKZUTRNNPSC-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.59
Rot. Bonds7

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

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(2-methylpropoxy)aniline (PubChem CID 54807100) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(2-methylpropoxy)aniline.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(2-methylpropoxy)aniline
PubChem CID54807100
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(2-methylpropoxy)aniline
SMILESCC(C)COc1ccc(NCCN2CCCc3ccccc32)cc1
InChIInChI=1S/C21H28N2O/c1-17(2)16-24-20-11-9-19(10-12-20)22-13-15-23-14-5-7-18-6-3-4-8-21(18)23/h3-4,6,8-12,17,22H,5,7,13-16H2,1-2H3
InChIKeyGOUHKZUTRNNPSC-UHFFFAOYSA-N
XLogP4.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethoxy]phenyl]acetamide
CID 71912035
N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808031
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
CID 54806801
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pentan-2-amine
CID 55085658
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
CID 60861432
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 54806928
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2,3-dimethylaniline
CID 54807403
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline
CID 54806693
4-(3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454044

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(2-methylpropoxy)aniline?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(2-methylpropoxy)aniline (CID 54807100) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(2-methylpropoxy)aniline.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(2-methylpropoxy)aniline?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(2-methylpropoxy)aniline is CC(C)COc1ccc(NCCN2CCCc3ccccc32)cc1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(2-methylpropoxy)aniline?
The InChIKey is GOUHKZUTRNNPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17(2)16-24-20-11-9-19(10-12-20)22-13-15-23-14-5-7-18-6-3-4-8-21(18)23/h3-4,6,8-12,17,22H,5,7,13-16H2,1-2H3.
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(2-methylpropoxy)aniline?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(2-methylpropoxy)aniline has a molecular weight of 324.47 g/mol, XLogP of 4.59, 7 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]-4-(2-methylpropoxy)aniline is sourced from PubChem (CID 54807100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).