3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine

C17H20BrNO — CID 43685032

IUPAC3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine
SMILESCc1ccc(C(C)NC2CC(c3cccc(Br)c3)C2)o1
InChIInChI=1S/C17H20BrNO/c1-11-6-7-17(20-11)12(2)19-16-9-14(10-16)13-4-3-5-15(18)8-13/h3-8,12,14,16,19H,9-10H2,1-2H3
InChIKeyLWDPIWZFSWGTSR-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.95
Rot. Bonds4

About 3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine

3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 43685032) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine
PubChem CID43685032
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine
SMILESCc1ccc(C(C)NC2CC(c3cccc(Br)c3)C2)o1
InChIInChI=1S/C17H20BrNO/c1-11-6-7-17(20-11)12(2)19-16-9-14(10-16)13-4-3-5-15(18)8-13/h3-8,12,14,16,19H,9-10H2,1-2H3
InChIKeyLWDPIWZFSWGTSR-UHFFFAOYSA-N
XLogP4.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine (CID 43685032) is 3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine is Cc1ccc(C(C)NC2CC(c3cccc(Br)c3)C2)o1.
What is the InChIKey of 3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is LWDPIWZFSWGTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-6-7-17(20-11)12(2)19-16-9-14(10-16)13-4-3-5-15(18)8-13/h3-8,12,14,16,19H,9-10H2,1-2H3.
What are the key properties of 3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine?
3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 43685032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).