3-(4-bromo-3-fluorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine

C15H21BrFNO — CID 66352264

IUPAC3-(4-bromo-3-fluorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(Br)c(F)c2)C1(C)CC
InChIInChI=1S/C15H21BrFNO/c1-4-15(3)13(18-5-2)9-14(15)19-10-6-7-11(16)12(17)8-10/h6-8,13-14,18H,4-5,9H2,1-3H3
InChIKeyLJXNXXYVSYMLQC-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.13
Rot. Bonds5

About 3-(4-bromo-3-fluorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine

3-(4-bromo-3-fluorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine (PubChem CID 66352264) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
PubChem CID66352264
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name3-(4-bromo-3-fluorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(Br)c(F)c2)C1(C)CC
InChIInChI=1S/C15H21BrFNO/c1-4-15(3)13(18-5-2)9-14(15)19-10-6-7-11(16)12(17)8-10/h6-8,13-14,18H,4-5,9H2,1-3H3
InChIKeyLJXNXXYVSYMLQC-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromo-3-fluorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine (CID 66352264) is 3-(4-bromo-3-fluorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromo-3-fluorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromo-3-fluorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine is CCNC1CC(Oc2ccc(Br)c(F)c2)C1(C)CC.
What is the InChIKey of 3-(4-bromo-3-fluorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
The InChIKey is LJXNXXYVSYMLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-4-15(3)13(18-5-2)9-14(15)19-10-6-7-11(16)12(17)8-10/h6-8,13-14,18H,4-5,9H2,1-3H3.
What are the key properties of 3-(4-bromo-3-fluorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
3-(4-bromo-3-fluorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine has a molecular weight of 330.24 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 66352264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).