2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine

C18H18N2O — CID 61373627

IUPAC2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine
SMILESCOc1ccc(CC(N)c2cnc3ccccc3c2)cc1
InChIInChI=1S/C18H18N2O/c1-21-16-8-6-13(7-9-16)10-17(19)15-11-14-4-2-3-5-18(14)20-12-15/h2-9,11-12,17H,10,19H2,1H3
InChIKeyRRJAWFRJTFFNBB-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.49
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine

2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine (PubChem CID 61373627) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine
PubChem CID61373627
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine
SMILESCOc1ccc(CC(N)c2cnc3ccccc3c2)cc1
InChIInChI=1S/C18H18N2O/c1-21-16-8-6-13(7-9-16)10-17(19)15-11-14-4-2-3-5-18(14)20-12-15/h2-9,11-12,17H,10,19H2,1H3
InChIKeyRRJAWFRJTFFNBB-UHFFFAOYSA-N
XLogP3.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-quinolin-3-ylethanamine
CID 60924752
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
2-(4-methylphenyl)-1-quinolin-6-ylethanamine
CID 63097383
(4-methoxythiophen-2-yl)-quinolin-3-ylmethanamine
CID 115798693
2-amino-2-quinolin-3-ylethanol;ethene
CID 142317274
2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 114821216
(1S)-1-quinolin-3-ylbut-3-en-1-amine
CID 55271973
1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079796
(3-methoxyphenyl)-quinolin-3-ylmethanol
CID 60924189
(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine
CID 146479702
1-(4-methoxyphenyl)-2-quinolin-2-ylethanamine
CID 43118775
2-methoxy-3-methyl-1-quinolin-3-ylbutan-1-amine
CID 116719597

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine (CID 61373627) is 2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine is COc1ccc(CC(N)c2cnc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine?
The InChIKey is RRJAWFRJTFFNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-21-16-8-6-13(7-9-16)10-17(19)15-11-14-4-2-3-5-18(14)20-12-15/h2-9,11-12,17H,10,19H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine?
2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine is sourced from PubChem (CID 61373627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).