1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine

C15H24N2O2 — CID 106821852

IUPAC1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine
SMILESCOc1ccc(CN(C)C2(CN)CC(OC)C2)cc1
InChIInChI=1S/C15H24N2O2/c1-17(15(11-16)8-14(9-15)19-3)10-12-4-6-13(18-2)7-5-12/h4-7,14H,8-11,16H2,1-3H3
InChIKeyZKOLTCCDJHIJKL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.63
Rot. Bonds6

About 1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine

1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine (PubChem CID 106821852) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine
PubChem CID106821852
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine
SMILESCOc1ccc(CN(C)C2(CN)CC(OC)C2)cc1
InChIInChI=1S/C15H24N2O2/c1-17(15(11-16)8-14(9-15)19-3)10-12-4-6-13(18-2)7-5-12/h4-7,14H,8-11,16H2,1-3H3
InChIKeyZKOLTCCDJHIJKL-UHFFFAOYSA-N
XLogP1.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine (CID 106821852) is 1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine is COc1ccc(CN(C)C2(CN)CC(OC)C2)cc1.
What is the InChIKey of 1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine?
The InChIKey is ZKOLTCCDJHIJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(15(11-16)8-14(9-15)19-3)10-12-4-6-13(18-2)7-5-12/h4-7,14H,8-11,16H2,1-3H3.
What are the key properties of 1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine?
1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine is sourced from PubChem (CID 106821852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).