1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine

C18H18N2O — CID 63850040

IUPAC1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2ccnc3ccccc23)cc1
InChIInChI=1S/C18H18N2O/c1-21-16-8-6-14(7-9-16)12-19-13-15-10-11-20-18-5-3-2-4-17(15)18/h2-11,19H,12-13H2,1H3
InChIKeyOUFUDCGXHWKSDA-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.53
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine

1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine (PubChem CID 63850040) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine
PubChem CID63850040
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2ccnc3ccccc23)cc1
InChIInChI=1S/C18H18N2O/c1-21-16-8-6-14(7-9-16)12-19-13-15-10-11-20-18-5-3-2-4-17(15)18/h2-11,19H,12-13H2,1H3
InChIKeyOUFUDCGXHWKSDA-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine (CID 63850040) is 1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine is COc1ccc(CNCc2ccnc3ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine?
The InChIKey is OUFUDCGXHWKSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-21-16-8-6-14(7-9-16)12-19-13-15-10-11-20-18-5-3-2-4-17(15)18/h2-11,19H,12-13H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine?
1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine has a molecular weight of 278.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine is sourced from PubChem (CID 63850040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).