3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine

C14H20BrN — CID 43632689

IUPAC3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
SMILESCC(C)CNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrN/c1-10(2)9-16-14-7-12(8-14)11-3-5-13(15)6-4-11/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyDDSZCYDQBRHZRO-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.94
Rot. Bonds4

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

3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine (PubChem CID 43632689) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
PubChem CID43632689
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
SMILESCC(C)CNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrN/c1-10(2)9-16-14-7-12(8-14)11-3-5-13(15)6-4-11/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyDDSZCYDQBRHZRO-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.94
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-methylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine (CID 43632689) is 3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine is CC(C)CNC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine?
The InChIKey is DDSZCYDQBRHZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10(2)9-16-14-7-12(8-14)11-3-5-13(15)6-4-11/h3-6,10,12,14,16H,7-9H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine?
3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine has a molecular weight of 282.22 g/mol, XLogP of 3.94, 4 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-methylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 43632689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).