3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine

C13H18BrN — CID 81418019

IUPAC3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine
SMILESCNC1CC(c2ccc(Br)cc2)C1(C)C
InChIInChI=1S/C13H18BrN/c1-13(2)11(8-12(13)15-3)9-4-6-10(14)7-5-9/h4-7,11-12,15H,8H2,1-3H3
InChIKeyAZNSNKPNTOFIDT-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.55
Rot. Bonds2

About 3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine

3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine (PubChem CID 81418019) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine
PubChem CID81418019
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine
SMILESCNC1CC(c2ccc(Br)cc2)C1(C)C
InChIInChI=1S/C13H18BrN/c1-13(2)11(8-12(13)15-3)9-4-6-10(14)7-5-9/h4-7,11-12,15H,8H2,1-3H3
InChIKeyAZNSNKPNTOFIDT-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine (CID 81418019) is 3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine is CNC1CC(c2ccc(Br)cc2)C1(C)C.
What is the InChIKey of 3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine?
The InChIKey is AZNSNKPNTOFIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-13(2)11(8-12(13)15-3)9-4-6-10(14)7-5-9/h4-7,11-12,15H,8H2,1-3H3.
What are the key properties of 3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine?
3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine has a molecular weight of 268.20 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine is sourced from PubChem (CID 81418019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).