3-(3-cyclobutyloxyphenyl)propan-1-amine

C13H19NO — CID 117294096

IUPAC3-(3-cyclobutyloxyphenyl)propan-1-amine
SMILESNCCCc1cccc(OC2CCC2)c1
InChIInChI=1S/C13H19NO/c14-9-3-5-11-4-1-8-13(10-11)15-12-6-2-7-12/h1,4,8,10,12H,2-3,5-7,9,14H2
InChIKeyXWPJEYQLXNVEPT-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.51
Rot. Bonds5

About 3-(3-cyclobutyloxyphenyl)propan-1-amine

3-(3-cyclobutyloxyphenyl)propan-1-amine (PubChem CID 117294096) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(3-cyclobutyloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-cyclobutyloxyphenyl)propan-1-amine
PubChem CID117294096
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(3-cyclobutyloxyphenyl)propan-1-amine
SMILESNCCCc1cccc(OC2CCC2)c1
InChIInChI=1S/C13H19NO/c14-9-3-5-11-4-1-8-13(10-11)15-12-6-2-7-12/h1,4,8,10,12H,2-3,5-7,9,14H2
InChIKeyXWPJEYQLXNVEPT-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
3-(3-cyclobutyloxyphenyl)propan-1-ol
CID 117294966
3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115004698
(3-ethylphenoxy)cyclooctane
CID 91220327
4-(3-cyclopropyloxyphenyl)butan-2-amine
CID 114522923
5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen
CID 142389533
1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
CID 54592852
(3-cyclopropyloxyphenyl)methanol
CID 57336629
5-(3-phenoxyphenyl)pentan-1-amine
CID 175525700
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
4-[3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117415298
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyloxyphenyl)propan-1-amine?
The IUPAC name of 3-(3-cyclobutyloxyphenyl)propan-1-amine (CID 117294096) is 3-(3-cyclobutyloxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-cyclobutyloxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3-cyclobutyloxyphenyl)propan-1-amine is NCCCc1cccc(OC2CCC2)c1.
What is the InChIKey of 3-(3-cyclobutyloxyphenyl)propan-1-amine?
The InChIKey is XWPJEYQLXNVEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-9-3-5-11-4-1-8-13(10-11)15-12-6-2-7-12/h1,4,8,10,12H,2-3,5-7,9,14H2.
What are the key properties of 3-(3-cyclobutyloxyphenyl)propan-1-amine?
3-(3-cyclobutyloxyphenyl)propan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyloxyphenyl)propan-1-amine is sourced from PubChem (CID 117294096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).