2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine

C17H25ClN2 — CID 63782406

IUPAC2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine
SMILESNCCc1c(Cl)cccc1N1CCCC2CCCCC21
InChIInChI=1S/C17H25ClN2/c18-15-7-3-9-17(14(15)10-11-19)20-12-4-6-13-5-1-2-8-16(13)20/h3,7,9,13,16H,1-2,4-6,8,10-12,19H2
InChIKeyCBMARHBWBGLOJI-UHFFFAOYSA-N
MW292.85 g/mol
LogP4.00
Rot. Bonds3

About 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine

2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine (PubChem CID 63782406) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine
PubChem CID63782406
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine
SMILESNCCc1c(Cl)cccc1N1CCCC2CCCCC21
InChIInChI=1S/C17H25ClN2/c18-15-7-3-9-17(14(15)10-11-19)20-12-4-6-13-5-1-2-8-16(13)20/h3,7,9,13,16H,1-2,4-6,8,10-12,19H2
InChIKeyCBMARHBWBGLOJI-UHFFFAOYSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine
CID 43628404
2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 63783024
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-chlorophenyl]-N-methylmethanamine
CID 102727313
N-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-chlorophenyl]methyl]ethanamine
CID 102727329
[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol
CID 82750860
2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine
CID 65322647
(4aR,8aR)-1-(3-chloro-2-nitrophenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727517
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methyl]propan-2-amine
CID 82752937
2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63783611
2-[2-chloro-6-(4,4-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 55236775
2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine
CID 63782919
3-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]aniline
CID 63745763

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine?
The IUPAC name of 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine (CID 63782406) is 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine?
The canonical SMILES for 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine is NCCc1c(Cl)cccc1N1CCCC2CCCCC21.
What is the InChIKey of 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine?
The InChIKey is CBMARHBWBGLOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c18-15-7-3-9-17(14(15)10-11-19)20-12-4-6-13-5-1-2-8-16(13)20/h3,7,9,13,16H,1-2,4-6,8,10-12,19H2.
What are the key properties of 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine?
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine has a molecular weight of 292.85 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine is sourced from PubChem (CID 63782406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).