1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine

C13H18BrN — CID 81016958

IUPAC1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrN/c1-15-9-12-5-4-11(12)8-10-2-6-13(14)7-3-10/h2-3,6-7,11-12,15H,4-5,8-9H2,1H3
InChIKeyKPAAKAFSFKRLHY-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.24
Rot. Bonds4

About 1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine

1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine (PubChem CID 81016958) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine
PubChem CID81016958
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrN/c1-15-9-12-5-4-11(12)8-10-2-6-13(14)7-3-10/h2-3,6-7,11-12,15H,4-5,8-9H2,1H3
InChIKeyKPAAKAFSFKRLHY-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine (CID 81016958) is 1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine is CNCC1CCC1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine?
The InChIKey is KPAAKAFSFKRLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-15-9-12-5-4-11(12)8-10-2-6-13(14)7-3-10/h2-3,6-7,11-12,15H,4-5,8-9H2,1H3.
What are the key properties of 1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine?
1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine has a molecular weight of 268.20 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 81016958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).