3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine

C15H22BrNO — CID 64602754

IUPAC3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine
SMILESCOCCC(C)NC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrNO/c1-11(6-7-18-2)17-15-9-13(10-15)12-4-3-5-14(16)8-12/h3-5,8,11,13,15,17H,6-7,9-10H2,1-2H3
InChIKeyLZQMZAKRKGJNRD-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.71
Rot. Bonds6

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

3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine (PubChem CID 64602754) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine
PubChem CID64602754
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine
SMILESCOCCC(C)NC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrNO/c1-11(6-7-18-2)17-15-9-13(10-15)12-4-3-5-14(16)8-12/h3-5,8,11,13,15,17H,6-7,9-10H2,1-2H3
InChIKeyLZQMZAKRKGJNRD-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine (CID 64602754) is 3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine is COCCC(C)NC1CC(c2cccc(Br)c2)C1.
What is the InChIKey of 3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine?
The InChIKey is LZQMZAKRKGJNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11(6-7-18-2)17-15-9-13(10-15)12-4-3-5-14(16)8-12/h3-5,8,11,13,15,17H,6-7,9-10H2,1-2H3.
What are the key properties of 3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine?
3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 64602754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).