1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine

C15H23NO — CID 103556115

IUPAC1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(CC(N)c2cc(C)ccc2C)CCC1
InChIInChI=1S/C15H23NO/c1-11-5-6-12(2)13(9-11)14(16)10-15(17-3)7-4-8-15/h5-6,9,14H,4,7-8,10,16H2,1-3H3
InChIKeyOXGQCSZGMOGTIU-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.26
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine

1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103556115) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103556115
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(CC(N)c2cc(C)ccc2C)CCC1
InChIInChI=1S/C15H23NO/c1-11-5-6-12(2)13(9-11)14(16)10-15(17-3)7-4-8-15/h5-6,9,14H,4,7-8,10,16H2,1-3H3
InChIKeyOXGQCSZGMOGTIU-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 107515843
1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 103559132
2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine
CID 79988911
1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556435
1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine
CID 103556957
1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 103560056
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
2-(1-methoxycyclobutyl)-1-naphthalen-2-ylethanamine
CID 103559265
1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 113362738
2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine
CID 62141393
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine (CID 103556115) is 1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine is COC1(CC(N)c2cc(C)ccc2C)CCC1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is OXGQCSZGMOGTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-5-6-12(2)13(9-11)14(16)10-15(17-3)7-4-8-15/h5-6,9,14H,4,7-8,10,16H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine?
1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 103556115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).