1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine

C18H18N2O — CID 81196953

IUPAC1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine
SMILESCOc1ccccc1C(C)(N)c1ccc2cccnc2c1
InChIInChI=1S/C18H18N2O/c1-18(19,15-7-3-4-8-17(15)21-2)14-10-9-13-6-5-11-20-16(13)12-14/h3-12H,19H2,1-2H3
InChIKeyJKIPEAUQDHTUAK-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.47
Rot. Bonds3

About 1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine

1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine (PubChem CID 81196953) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine
PubChem CID81196953
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine
SMILESCOc1ccccc1C(C)(N)c1ccc2cccnc2c1
InChIInChI=1S/C18H18N2O/c1-18(19,15-7-3-4-8-17(15)21-2)14-10-9-13-6-5-11-20-16(13)12-14/h3-12H,19H2,1-2H3
InChIKeyJKIPEAUQDHTUAK-UHFFFAOYSA-N
XLogP3.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine (CID 81196953) is 1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine is COc1ccccc1C(C)(N)c1ccc2cccnc2c1.
What is the InChIKey of 1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine?
The InChIKey is JKIPEAUQDHTUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-18(19,15-7-3-4-8-17(15)21-2)14-10-9-13-6-5-11-20-16(13)12-14/h3-12H,19H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine?
1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine is sourced from PubChem (CID 81196953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).