3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine

C17H25NO2 — CID 61040203

IUPAC3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NCCC3CCCO3)C2)c1
InChIInChI=1S/C17H25NO2/c1-19-17-5-2-4-13(12-17)14-10-15(11-14)18-8-7-16-6-3-9-20-16/h2,4-5,12,14-16,18H,3,6-11H2,1H3
InChIKeyHQFIBLQPKQSXIL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.10
Rot. Bonds6

About 3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine

3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 61040203) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
PubChem CID61040203
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NCCC3CCCO3)C2)c1
InChIInChI=1S/C17H25NO2/c1-19-17-5-2-4-13(12-17)14-10-15(11-14)18-8-7-16-6-3-9-20-16/h2,4-5,12,14-16,18H,3,6-11H2,1H3
InChIKeyHQFIBLQPKQSXIL-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61039964
N-(1,4-dioxan-2-ylmethyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 61024965
3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
CID 63981363
3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 54917361
N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62975535
7-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75431760
N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide
CID 43634854
N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 106169746
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]benzoic acid
CID 122035121
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 106043404
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine (CID 61040203) is 3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine is COc1cccc(C2CC(NCCC3CCCO3)C2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is HQFIBLQPKQSXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-19-17-5-2-4-13(12-17)14-10-15(11-14)18-8-7-16-6-3-9-20-16/h2,4-5,12,14-16,18H,3,6-11H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine?
3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 61040203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).