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

C16H22BrNO — CID 106704300

IUPAC3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine
SMILESBrc1cccc(C2CC(NCCC3CCOC3)C2)c1
InChIInChI=1S/C16H22BrNO/c17-15-3-1-2-13(8-15)14-9-16(10-14)18-6-4-12-5-7-19-11-12/h1-3,8,12,14,16,18H,4-7,9-11H2
InChIKeyBYYGWHFTARUJPP-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.71
Rot. Bonds5

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

3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine (PubChem CID 106704300) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine
PubChem CID106704300
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine
SMILESBrc1cccc(C2CC(NCCC3CCOC3)C2)c1
InChIInChI=1S/C16H22BrNO/c17-15-3-1-2-13(8-15)14-9-16(10-14)18-6-4-12-5-7-19-11-12/h1-3,8,12,14,16,18H,4-7,9-11H2
InChIKeyBYYGWHFTARUJPP-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine
CID 104530912
N-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine
CID 80717711
3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine
CID 54931849
3-(3-bromophenyl)oxolane
CID 66521315
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
3-[[3-(3-bromophenyl)cyclobutyl]amino]propanoic acid
CID 43635224
N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 113424537
1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine
CID 113424548
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632521
3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine
CID 63452022
3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 60856760

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine (CID 106704300) is 3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine is Brc1cccc(C2CC(NCCC3CCOC3)C2)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine?
The InChIKey is BYYGWHFTARUJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c17-15-3-1-2-13(8-15)14-9-16(10-14)18-6-4-12-5-7-19-11-12/h1-3,8,12,14,16,18H,4-7,9-11H2.
What are the key properties of 3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine?
3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine has a molecular weight of 324.26 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 106704300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).