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

C17H26N2 — CID 55025133

IUPAC[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1N1CCCC2CCCCC21
InChIInChI=1S/C17H26N2/c1-13-11-14(12-18)8-9-16(13)19-10-4-6-15-5-2-3-7-17(15)19/h8-9,11,15,17H,2-7,10,12,18H2,1H3
InChIKeyUNZCKMAQHWHBAI-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.61
Rot. Bonds2

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

[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine (PubChem CID 55025133) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine
PubChem CID55025133
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1N1CCCC2CCCCC21
InChIInChI=1S/C17H26N2/c1-13-11-14(12-18)8-9-16(13)19-10-4-6-15-5-2-3-7-17(15)19/h8-9,11,15,17H,2-7,10,12,18H2,1H3
InChIKeyUNZCKMAQHWHBAI-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine?
The IUPAC name of [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine (CID 55025133) is [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine.
What is the SMILES notation for [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine?
The canonical SMILES for [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine is Cc1cc(CN)ccc1N1CCCC2CCCCC21.
What is the InChIKey of [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine?
The InChIKey is UNZCKMAQHWHBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-11-14(12-18)8-9-16(13)19-10-4-6-15-5-2-3-7-17(15)19/h8-9,11,15,17H,2-7,10,12,18H2,1H3.
What are the key properties of [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine?
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine has a molecular weight of 258.41 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine is sourced from PubChem (CID 55025133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).