3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine

C16H24BrN — CID 81417448

IUPAC3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine
SMILESCCNC1CC(c2ccccc2Br)C1(CC)CC
InChIInChI=1S/C16H24BrN/c1-4-16(5-2)13(11-15(16)18-6-3)12-9-7-8-10-14(12)17/h7-10,13,15,18H,4-6,11H2,1-3H3
InChIKeyHZCHTHIPYBCBQC-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.72
Rot. Bonds5

About 3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine

3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine (PubChem CID 81417448) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine
PubChem CID81417448
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine
SMILESCCNC1CC(c2ccccc2Br)C1(CC)CC
InChIInChI=1S/C16H24BrN/c1-4-16(5-2)13(11-15(16)18-6-3)12-9-7-8-10-14(12)17/h7-10,13,15,18H,4-6,11H2,1-3H3
InChIKeyHZCHTHIPYBCBQC-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine (CID 81417448) is 3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine is CCNC1CC(c2ccccc2Br)C1(CC)CC.
What is the InChIKey of 3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine?
The InChIKey is HZCHTHIPYBCBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-4-16(5-2)13(11-15(16)18-6-3)12-9-7-8-10-14(12)17/h7-10,13,15,18H,4-6,11H2,1-3H3.
What are the key properties of 3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine?
3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine is sourced from PubChem (CID 81417448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).