N-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine

C18H29NO — CID 103434698

IUPACN-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCOc1c(C2CCC2CNCC(C)C)ccc(C)c1C
InChIInChI=1S/C18H29NO/c1-12(2)10-19-11-15-7-9-16(15)17-8-6-13(3)14(4)18(17)20-5/h6,8,12,15-16,19H,7,9-11H2,1-5H3
InChIKeyHANGOMPWAIGNPQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.05
Rot. Bonds6

About N-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine

N-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 103434698) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID103434698
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCOc1c(C2CCC2CNCC(C)C)ccc(C)c1C
InChIInChI=1S/C18H29NO/c1-12(2)10-19-11-15-7-9-16(15)17-8-6-13(3)14(4)18(17)20-5/h6,8,12,15-16,19H,7,9-11H2,1-5H3
InChIKeyHANGOMPWAIGNPQ-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine (CID 103434698) is N-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine is COc1c(C2CCC2CNCC(C)C)ccc(C)c1C.
What is the InChIKey of N-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is HANGOMPWAIGNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-12(2)10-19-11-15-7-9-16(15)17-8-6-13(3)14(4)18(17)20-5/h6,8,12,15-16,19H,7,9-11H2,1-5H3.
What are the key properties of N-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103434698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).