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

C14H21NO — CID 62141393

IUPAC2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)COC2CCC2)c1
InChIInChI=1S/C14H21NO/c1-10-6-7-11(2)13(8-10)14(15)9-16-12-4-3-5-12/h6-8,12,14H,3-5,9,15H2,1-2H3
InChIKeyMIFBHFAMRIZJII-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.87
Rot. Bonds4

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

2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine (PubChem CID 62141393) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine
PubChem CID62141393
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)COC2CCC2)c1
InChIInChI=1S/C14H21NO/c1-10-6-7-11(2)13(8-10)14(15)9-16-12-4-3-5-12/h6-8,12,14H,3-5,9,15H2,1-2H3
InChIKeyMIFBHFAMRIZJII-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyloxy-1-(2,4-dimethylphenyl)ethanamine
CID 16787189
2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine
CID 114340874
2-cyclopentyloxy-1-(4-methylphenyl)ethanamine
CID 16787694
2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol
CID 114341933
2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine
CID 43093894
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64728380
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200897
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
1-(2,5-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545345

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine (CID 62141393) is 2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(C(N)COC2CCC2)c1.
What is the InChIKey of 2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine?
The InChIKey is MIFBHFAMRIZJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-6-7-11(2)13(8-10)14(15)9-16-12-4-3-5-12/h6-8,12,14H,3-5,9,15H2,1-2H3.
What are the key properties of 2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine?
2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 62141393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).