1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine

C19H23NO — CID 116506606

IUPAC1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(C3CCC3)cc2)ccc1OC
InChIInChI=1S/C19H23NO/c1-20-13-18-12-17(10-11-19(18)21-2)16-8-6-15(7-9-16)14-4-3-5-14/h6-12,14,20H,3-5,13H2,1-2H3
InChIKeyQRYVCACWVSSNGM-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.35
Rot. Bonds5

About 1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine

1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine (PubChem CID 116506606) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine
PubChem CID116506606
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(C3CCC3)cc2)ccc1OC
InChIInChI=1S/C19H23NO/c1-20-13-18-12-17(10-11-19(18)21-2)16-8-6-15(7-9-16)14-4-3-5-14/h6-12,14,20H,3-5,13H2,1-2H3
InChIKeyQRYVCACWVSSNGM-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine (CID 116506606) is 1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine is CNCc1cc(-c2ccc(C3CCC3)cc2)ccc1OC.
What is the InChIKey of 1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine?
The InChIKey is QRYVCACWVSSNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-20-13-18-12-17(10-11-19(18)21-2)16-8-6-15(7-9-16)14-4-3-5-14/h6-12,14,20H,3-5,13H2,1-2H3.
What are the key properties of 1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine?
1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine has a molecular weight of 281.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 116506606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).