4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol

C14H20BrNO — CID 103167225

IUPAC4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol
SMILESNCC(c1ccccc1Br)C(O)CC1CCC1
InChIInChI=1S/C14H20BrNO/c15-13-7-2-1-6-11(13)12(9-16)14(17)8-10-4-3-5-10/h1-2,6-7,10,12,14,17H,3-5,8-9,16H2
InChIKeyTZVDJHMZNCZGJU-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.04
Rot. Bonds5

About 4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol

4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol (PubChem CID 103167225) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol.

Molecular Properties

Compound Name4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol
PubChem CID103167225
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol
SMILESNCC(c1ccccc1Br)C(O)CC1CCC1
InChIInChI=1S/C14H20BrNO/c15-13-7-2-1-6-11(13)12(9-16)14(17)8-10-4-3-5-10/h1-2,6-7,10,12,14,17H,3-5,8-9,16H2
InChIKeyTZVDJHMZNCZGJU-UHFFFAOYSA-N
XLogP3.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol?
The IUPAC name of 4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol (CID 103167225) is 4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol.
What is the SMILES notation for 4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol?
The canonical SMILES for 4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol is NCC(c1ccccc1Br)C(O)CC1CCC1.
What is the InChIKey of 4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol?
The InChIKey is TZVDJHMZNCZGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c15-13-7-2-1-6-11(13)12(9-16)14(17)8-10-4-3-5-10/h1-2,6-7,10,12,14,17H,3-5,8-9,16H2.
What are the key properties of 4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol?
4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol has a molecular weight of 298.22 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-bromophenyl)-1-cyclobutylbutan-2-ol is sourced from PubChem (CID 103167225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).