3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine

C15H23NO — CID 104584425

IUPAC3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine
SMILESCOC1CC(NC(C)Cc2ccccc2C)C1
InChIInChI=1S/C15H23NO/c1-11-6-4-5-7-13(11)8-12(2)16-14-9-15(10-14)17-3/h4-7,12,14-16H,8-10H2,1-3H3
InChIKeyVNEOVZZLUGTURZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.69
Rot. Bonds5

About 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine

3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine (PubChem CID 104584425) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine
PubChem CID104584425
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine
SMILESCOC1CC(NC(C)Cc2ccccc2C)C1
InChIInChI=1S/C15H23NO/c1-11-6-4-5-7-13(11)8-12(2)16-14-9-15(10-14)17-3/h4-7,12,14-16H,8-10H2,1-3H3
InChIKeyVNEOVZZLUGTURZ-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine
CID 80560977
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine
CID 113429558
3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine
CID 80706411
N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine
CID 103981634
1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidin-3-amine
CID 55141211
1-cyclopropyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidin-3-amine
CID 115713788
N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60943738
3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine
CID 115713787
2,6-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclohexan-1-amine
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3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine
CID 104584378
N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine
CID 97230058
N-[1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine
CID 75382742

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine (CID 104584425) is 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine is COC1CC(NC(C)Cc2ccccc2C)C1.
What is the InChIKey of 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine?
The InChIKey is VNEOVZZLUGTURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-6-4-5-7-13(11)8-12(2)16-14-9-15(10-14)17-3/h4-7,12,14-16H,8-10H2,1-3H3.
What are the key properties of 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine?
3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 104584425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).