3-phenoxy-1-quinolin-6-ylpropan-1-amine

C18H18N2O — CID 78924724

IUPAC3-phenoxy-1-quinolin-6-ylpropan-1-amine
SMILESNC(CCOc1ccccc1)c1ccc2ncccc2c1
InChIInChI=1S/C18H18N2O/c19-17(10-12-21-16-6-2-1-3-7-16)14-8-9-18-15(13-14)5-4-11-20-18/h1-9,11,13,17H,10,12,19H2
InChIKeyXEZLSEAOIJVLKQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.70
Rot. Bonds5

About 3-phenoxy-1-quinolin-6-ylpropan-1-amine

3-phenoxy-1-quinolin-6-ylpropan-1-amine (PubChem CID 78924724) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-phenoxy-1-quinolin-6-ylpropan-1-amine.

Molecular Properties

Compound Name3-phenoxy-1-quinolin-6-ylpropan-1-amine
PubChem CID78924724
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-phenoxy-1-quinolin-6-ylpropan-1-amine
SMILESNC(CCOc1ccccc1)c1ccc2ncccc2c1
InChIInChI=1S/C18H18N2O/c19-17(10-12-21-16-6-2-1-3-7-16)14-8-9-18-15(13-14)5-4-11-20-18/h1-9,11,13,17H,10,12,19H2
InChIKeyXEZLSEAOIJVLKQ-UHFFFAOYSA-N
XLogP3.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-quinolin-6-ylbutan-1-amine
CID 78924718
1-quinolin-6-ylbutan-1-amine
CID 63095616
4-amino-4-quinolin-6-ylbutanoic acid
CID 84693454
5-methyl-1-quinolin-6-ylhexan-1-amine
CID 83161358
1-quinolin-6-yldecan-1-amine
CID 63418413
2-phenoxy-1-quinolin-6-ylethanol
CID 81220739
3-(2-methylphenyl)-1-quinolin-6-ylpropan-1-amine
CID 105172408
N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine
CID 81231421
2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine
CID 105172313
3-amino-3-quinolin-6-ylpropanenitrile
CID 55273076
2-(2-chlorophenyl)-1-quinolin-6-ylethanamine
CID 63095273
2-(2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 63097555

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-quinolin-6-ylpropan-1-amine?
The IUPAC name of 3-phenoxy-1-quinolin-6-ylpropan-1-amine (CID 78924724) is 3-phenoxy-1-quinolin-6-ylpropan-1-amine.
What is the SMILES notation for 3-phenoxy-1-quinolin-6-ylpropan-1-amine?
The canonical SMILES for 3-phenoxy-1-quinolin-6-ylpropan-1-amine is NC(CCOc1ccccc1)c1ccc2ncccc2c1.
What is the InChIKey of 3-phenoxy-1-quinolin-6-ylpropan-1-amine?
The InChIKey is XEZLSEAOIJVLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c19-17(10-12-21-16-6-2-1-3-7-16)14-8-9-18-15(13-14)5-4-11-20-18/h1-9,11,13,17H,10,12,19H2.
What are the key properties of 3-phenoxy-1-quinolin-6-ylpropan-1-amine?
3-phenoxy-1-quinolin-6-ylpropan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-1-quinolin-6-ylpropan-1-amine is sourced from PubChem (CID 78924724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).