3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline

C16H24N2 — CID 62589973

IUPAC3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline
SMILESCc1ccc(N)cc1N1CCCC2CCCCC21
InChIInChI=1S/C16H24N2/c1-12-8-9-14(17)11-16(12)18-10-4-6-13-5-2-3-7-15(13)18/h8-9,11,13,15H,2-7,10,17H2,1H3
InChIKeyOKYHNZATODFVFU-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.74
Rot. Bonds1

About 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline

3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline (PubChem CID 62589973) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline.

Molecular Properties

Compound Name3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline
PubChem CID62589973
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline
SMILESCc1ccc(N)cc1N1CCCC2CCCCC21
InChIInChI=1S/C16H24N2/c1-12-8-9-14(17)11-16(12)18-10-4-6-13-5-2-3-7-15(13)18/h8-9,11,13,15H,2-7,10,17H2,1H3
InChIKeyOKYHNZATODFVFU-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline with MolForge

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Related Compounds

1-(5-amino-2-methylphenyl)piperidine-2-carboxamide
CID 55091464
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-bromoaniline
CID 82746353
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine
CID 55025133
4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine
CID 103000935
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylaniline
CID 82747611
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine
CID 43628015
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-fluorophenyl]ethanamine
CID 102726753
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylbenzenecarbothioamide
CID 62302263
1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
CID 82967867
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3,5-difluoroaniline
CID 54902990
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methylbenzoic acid
CID 102726702
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine
CID 114016660

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline?
The IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline (CID 62589973) is 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline.
What is the SMILES notation for 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline?
The canonical SMILES for 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline is Cc1ccc(N)cc1N1CCCC2CCCCC21.
What is the InChIKey of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline?
The InChIKey is OKYHNZATODFVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-8-9-14(17)11-16(12)18-10-4-6-13-5-2-3-7-15(13)18/h8-9,11,13,15H,2-7,10,17H2,1H3.
What are the key properties of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline?
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline has a molecular weight of 244.38 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline is sourced from PubChem (CID 62589973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).