1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine

C15H23NO — CID 116929393

IUPAC1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine
SMILESCCOc1ccc(CC2(CNC)CCC2)cc1
InChIInChI=1S/C15H23NO/c1-3-17-14-7-5-13(6-8-14)11-15(12-16-2)9-4-10-15/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyMKUXSRCRBIWGIL-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.02
Rot. Bonds6

About 1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine

1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine (PubChem CID 116929393) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine
PubChem CID116929393
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine
SMILESCCOc1ccc(CC2(CNC)CCC2)cc1
InChIInChI=1S/C15H23NO/c1-3-17-14-7-5-13(6-8-14)11-15(12-16-2)9-4-10-15/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyMKUXSRCRBIWGIL-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine (CID 116929393) is 1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine is CCOc1ccc(CC2(CNC)CCC2)cc1.
What is the InChIKey of 1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine?
The InChIKey is MKUXSRCRBIWGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-17-14-7-5-13(6-8-14)11-15(12-16-2)9-4-10-15/h5-8,16H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine?
1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 116929393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).