2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine

C18H18N2O — CID 81227594

IUPAC2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine
SMILESCOc1ccc(CC(N)c2cccc3ncccc23)cc1
InChIInChI=1S/C18H18N2O/c1-21-14-9-7-13(8-10-14)12-17(19)15-4-2-6-18-16(15)5-3-11-20-18/h2-11,17H,12,19H2,1H3
InChIKeyBKXTYJVOHUHGNT-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.49
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine

2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine (PubChem CID 81227594) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine
PubChem CID81227594
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine
SMILESCOc1ccc(CC(N)c2cccc3ncccc23)cc1
InChIInChI=1S/C18H18N2O/c1-21-14-9-7-13(8-10-14)12-17(19)15-4-2-6-18-16(15)5-3-11-20-18/h2-11,17H,12,19H2,1H3
InChIKeyBKXTYJVOHUHGNT-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-(6-methoxy-3-pyridinyl)-1-quinolin-5-ylethanamine
CID 81229719
3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine
CID 103028668
2-(furan-3-yl)-1-quinolin-5-ylethanamine
CID 105177642
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine
CID 81227860
2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine
CID 81231313
2-(4-bromophenyl)-1-quinolin-4-ylethanamine
CID 105089328
(1R)-1-quinolin-5-ylethanamine
CID 55277010
4-methyl-1-quinolin-5-ylpentan-1-amine
CID 81232092
1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine
CID 82807174
2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105101378

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine (CID 81227594) is 2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine is COc1ccc(CC(N)c2cccc3ncccc23)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine?
The InChIKey is BKXTYJVOHUHGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-21-14-9-7-13(8-10-14)12-17(19)15-4-2-6-18-16(15)5-3-11-20-18/h2-11,17H,12,19H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine?
2-(4-methoxyphenyl)-1-quinolin-5-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-5-ylethanamine is sourced from PubChem (CID 81227594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).