3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine

C16H24BrN — CID 103460849

IUPAC3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine
SMILESCCC(C)(C)CNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H24BrN/c1-4-16(2,3)11-18-15-9-13(10-15)12-5-7-14(17)8-6-12/h5-8,13,15,18H,4,9-11H2,1-3H3
InChIKeyXEMJYJITXJSMEP-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.72
Rot. Bonds5

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

3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine (PubChem CID 103460849) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine
PubChem CID103460849
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine
SMILESCCC(C)(C)CNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H24BrN/c1-4-16(2,3)11-18-15-9-13(10-15)12-5-7-14(17)8-6-12/h5-8,13,15,18H,4,9-11H2,1-3H3
InChIKeyXEMJYJITXJSMEP-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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Related Compounds

1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
CID 66179964
3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
3-(4-bromophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine
CID 43731269
3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine
CID 82709978
4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol
CID 104530299
3-[[3-(4-bromophenyl)cyclobutyl]amino]propan-1-ol
CID 43634672
3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 62322840
3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine
CID 104651089
N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
CID 63454286
3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 63822564
N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43633039

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine (CID 103460849) is 3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine is CCC(C)(C)CNC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine?
The InChIKey is XEMJYJITXJSMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-4-16(2,3)11-18-15-9-13(10-15)12-5-7-14(17)8-6-12/h5-8,13,15,18H,4,9-11H2,1-3H3.
What are the key properties of 3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine?
3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-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-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine is sourced from PubChem (CID 103460849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).