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

C16H23ClN2 — CID 43628404

IUPAC[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine
SMILESNCc1c(Cl)cccc1N1CCCC2CCCCC21
InChIInChI=1S/C16H23ClN2/c17-14-7-3-9-16(13(14)11-18)19-10-4-6-12-5-1-2-8-15(12)19/h3,7,9,12,15H,1-2,4-6,8,10-11,18H2
InChIKeyAULMBEPMSWYUNN-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.96
Rot. Bonds2

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

[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine (PubChem CID 43628404) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine
PubChem CID43628404
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine
SMILESNCc1c(Cl)cccc1N1CCCC2CCCCC21
InChIInChI=1S/C16H23ClN2/c17-14-7-3-9-16(13(14)11-18)19-10-4-6-12-5-1-2-8-15(12)19/h3,7,9,12,15H,1-2,4-6,8,10-11,18H2
InChIKeyAULMBEPMSWYUNN-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine?
The IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine (CID 43628404) is [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine.
What is the SMILES notation for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine?
The canonical SMILES for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine is NCc1c(Cl)cccc1N1CCCC2CCCCC21.
What is the InChIKey of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine?
The InChIKey is AULMBEPMSWYUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-14-7-3-9-16(13(14)11-18)19-10-4-6-12-5-1-2-8-15(12)19/h3,7,9,12,15H,1-2,4-6,8,10-11,18H2.
What are the key properties of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine?
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine has a molecular weight of 278.83 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine is sourced from PubChem (CID 43628404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).