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

C18H28N2O — CID 83004516

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2CCCC3CCCCC32)ccc1N
InChIInChI=1S/C18H28N2O/c1-13(2)21-18-12-15(9-10-16(18)19)20-11-5-7-14-6-3-4-8-17(14)20/h9-10,12-14,17H,3-8,11,19H2,1-2H3
InChIKeyQIXWMKWGPYMGOJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.22
Rot. Bonds3

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

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propan-2-yloxyaniline (PubChem CID 83004516) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propan-2-yloxyaniline
PubChem CID83004516
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2CCCC3CCCCC32)ccc1N
InChIInChI=1S/C18H28N2O/c1-13(2)21-18-12-15(9-10-16(18)19)20-11-5-7-14-6-3-4-8-17(14)20/h9-10,12-14,17H,3-8,11,19H2,1-2H3
InChIKeyQIXWMKWGPYMGOJ-UHFFFAOYSA-N
XLogP4.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propan-2-yloxyaniline (CID 83004516) is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propan-2-yloxyaniline is CC(C)Oc1cc(N2CCCC3CCCCC32)ccc1N.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propan-2-yloxyaniline?
The InChIKey is QIXWMKWGPYMGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)21-18-12-15(9-10-16(18)19)20-11-5-7-14-6-3-4-8-17(14)20/h9-10,12-14,17H,3-8,11,19H2,1-2H3.
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propan-2-yloxyaniline?
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propan-2-yloxyaniline has a molecular weight of 288.44 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 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)-2-propan-2-yloxyaniline is sourced from PubChem (CID 83004516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).