2-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4,5-dimethoxyaniline

C20H26N2O2 — CID 82071651

IUPAC2-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(CCCN2CCCc3ccccc32)cc1OC
InChIInChI=1S/C20H26N2O2/c1-23-19-13-16(17(21)14-20(19)24-2)9-6-12-22-11-5-8-15-7-3-4-10-18(15)22/h3-4,7,10,13-14H,5-6,8-9,11-12,21H2,1-2H3
InChIKeyCLNIYLBGSUDENI-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.67
Rot. Bonds6

About 2-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4,5-dimethoxyaniline

2-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4,5-dimethoxyaniline (PubChem CID 82071651) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4,5-dimethoxyaniline
PubChem CID82071651
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(CCCN2CCCc3ccccc32)cc1OC
InChIInChI=1S/C20H26N2O2/c1-23-19-13-16(17(21)14-20(19)24-2)9-6-12-22-11-5-8-15-7-3-4-10-18(15)22/h3-4,7,10,13-14H,5-6,8-9,11-12,21H2,1-2H3
InChIKeyCLNIYLBGSUDENI-UHFFFAOYSA-N
XLogP3.67
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]aniline
CID 115342191
6-(3,4-dihydro-2H-quinolin-1-yl)hexan-1-amine
CID 13472128
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
8-(3,4-dihydro-2H-quinolin-1-yl)octan-1-amine
CID 13472131
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
CID 54806801
6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylhexan-1-amine
CID 13472124
8-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyloctan-1-amine
CID 13472133
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
3-[3-(2,3-dihydroindol-1-yl)propyl]aniline
CID 28721170
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132655246

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4,5-dimethoxyaniline?
The IUPAC name of 2-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4,5-dimethoxyaniline (CID 82071651) is 2-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4,5-dimethoxyaniline.
What is the SMILES notation for 2-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4,5-dimethoxyaniline?
The canonical SMILES for 2-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4,5-dimethoxyaniline is COc1cc(N)c(CCCN2CCCc3ccccc32)cc1OC.
What is the InChIKey of 2-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4,5-dimethoxyaniline?
The InChIKey is CLNIYLBGSUDENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-23-19-13-16(17(21)14-20(19)24-2)9-6-12-22-11-5-8-15-7-3-4-10-18(15)22/h3-4,7,10,13-14H,5-6,8-9,11-12,21H2,1-2H3.
What are the key properties of 2-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4,5-dimethoxyaniline?
2-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4,5-dimethoxyaniline has a molecular weight of 326.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4,5-dimethoxyaniline is sourced from PubChem (CID 82071651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).