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

C18H22N2 — CID 65350451

IUPAC3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
SMILESCC1CCc2ccccc2N1CCc1cccc(N)c1
InChIInChI=1S/C18H22N2/c1-14-9-10-16-6-2-3-8-18(16)20(14)12-11-15-5-4-7-17(19)13-15/h2-8,13-14H,9-12,19H2,1H3
InChIKeyOGCCZBCEIDVGFA-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.65
Rot. Bonds3

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

3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline (PubChem CID 65350451) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
PubChem CID65350451
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
SMILESCC1CCc2ccccc2N1CCc1cccc(N)c1
InChIInChI=1S/C18H22N2/c1-14-9-10-16-6-2-3-8-18(16)20(14)12-11-15-5-4-7-17(19)13-15/h2-8,13-14H,9-12,19H2,1H3
InChIKeyOGCCZBCEIDVGFA-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyridin-3-amine
CID 107339948
4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65485622
3-fluoro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 64769628
3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 63405914
3-[3-(2,3-dihydroindol-1-yl)propyl]aniline
CID 28721170
2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 43199534
2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline
CID 79319370
2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 54945544
1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline
CID 61396775
3-[3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]aniline
CID 115342191
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
CID 82972988
4-(chloromethyl)-2-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazole
CID 43320414

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline?
The IUPAC name of 3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline (CID 65350451) is 3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline.
What is the SMILES notation for 3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline?
The canonical SMILES for 3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline is CC1CCc2ccccc2N1CCc1cccc(N)c1.
What is the InChIKey of 3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline?
The InChIKey is OGCCZBCEIDVGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14-9-10-16-6-2-3-8-18(16)20(14)12-11-15-5-4-7-17(19)13-15/h2-8,13-14H,9-12,19H2,1H3.
What are the key properties of 3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline?
3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline has a molecular weight of 266.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline is sourced from PubChem (CID 65350451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).