1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine

C15H23NO — CID 65459757

IUPAC1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
SMILESCc1ccc(OCC2CCC2)c(CC(C)N)c1
InChIInChI=1S/C15H23NO/c1-11-6-7-15(14(8-11)9-12(2)16)17-10-13-4-3-5-13/h6-8,12-13H,3-5,9-10,16H2,1-2H3
InChIKeyUKPMXHWJVODVNZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.06
Rot. Bonds5

About 1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine

1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine (PubChem CID 65459757) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
PubChem CID65459757
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
SMILESCc1ccc(OCC2CCC2)c(CC(C)N)c1
InChIInChI=1S/C15H23NO/c1-11-6-7-15(14(8-11)9-12(2)16)17-10-13-4-3-5-13/h6-8,12-13H,3-5,9-10,16H2,1-2H3
InChIKeyUKPMXHWJVODVNZ-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 63325810
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
[2-(cyclopentylmethoxy)-5-methylphenyl]methanol
CID 63325672
1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894105
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
CID 170891556
1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine
CID 117402799
(1R)-1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanamine
CID 63650863
4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine
CID 117436667
1-[2-(methoxymethoxy)-5-methylphenyl]propan-2-amine
CID 65364966
1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride
CID 170894127
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170893909

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine?
The IUPAC name of 1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine (CID 65459757) is 1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine is Cc1ccc(OCC2CCC2)c(CC(C)N)c1.
What is the InChIKey of 1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine?
The InChIKey is UKPMXHWJVODVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-6-7-15(14(8-11)9-12(2)16)17-10-13-4-3-5-13/h6-8,12-13H,3-5,9-10,16H2,1-2H3.
What are the key properties of 1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine?
1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine is sourced from PubChem (CID 65459757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).