3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol

C15H20BrNO — CID 66004545

IUPAC3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNC2CC(c3ccc(Br)cc3)C2)C1
InChIInChI=1S/C15H20BrNO/c16-13-3-1-11(2-4-13)12-7-14(8-12)17-9-10-5-15(18)6-10/h1-4,10,12,14-15,17-18H,5-9H2
InChIKeyVHNCXZKLEZCEQI-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.06
Rot. Bonds4

About 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol

3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol (PubChem CID 66004545) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
PubChem CID66004545
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNC2CC(c3ccc(Br)cc3)C2)C1
InChIInChI=1S/C15H20BrNO/c16-13-3-1-11(2-4-13)12-7-14(8-12)17-9-10-5-15(18)6-10/h1-4,10,12,14-15,17-18H,5-9H2
InChIKeyVHNCXZKLEZCEQI-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol (CID 66004545) is 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol is OC1CC(CNC2CC(c3ccc(Br)cc3)C2)C1.
What is the InChIKey of 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is VHNCXZKLEZCEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-13-3-1-11(2-4-13)12-7-14(8-12)17-9-10-5-15(18)6-10/h1-4,10,12,14-15,17-18H,5-9H2.
What are the key properties of 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol?
3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 310.23 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66004545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).