3-amino-3-(4-bromophenyl)cyclobutan-1-ol;hydrochloride

C10H13BrClNO — CID 126818574

IUPAC3-amino-3-(4-bromophenyl)cyclobutan-1-ol;hydrochloride
SMILESCl.NC1(c2ccc(Br)cc2)CC(O)C1
InChIInChI=1S/C10H12BrNO.ClH/c11-8-3-1-7(2-4-8)10(12)5-9(13)6-10;/h1-4,9,13H,5-6,12H2;1H
InChIKeyRJZKMQGPWMGTSS-UHFFFAOYSA-N
MW278.58 g/mol
LogP2.18
Rot. Bonds1

About 3-amino-3-(4-bromophenyl)cyclobutan-1-ol;hydrochloride

3-amino-3-(4-bromophenyl)cyclobutan-1-ol;hydrochloride (PubChem CID 126818574) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 3-amino-3-(4-bromophenyl)cyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(4-bromophenyl)cyclobutan-1-ol;hydrochloride
PubChem CID126818574
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name3-amino-3-(4-bromophenyl)cyclobutan-1-ol;hydrochloride
SMILESCl.NC1(c2ccc(Br)cc2)CC(O)C1
InChIInChI=1S/C10H12BrNO.ClH/c11-8-3-1-7(2-4-8)10(12)5-9(13)6-10;/h1-4,9,13H,5-6,12H2;1H
InChIKeyRJZKMQGPWMGTSS-UHFFFAOYSA-N
XLogP2.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-bromophenyl)cyclobutan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-(4-bromophenyl)cyclobutan-1-ol;hydrochloride (CID 126818574) is 3-amino-3-(4-bromophenyl)cyclobutan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-(4-bromophenyl)cyclobutan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-(4-bromophenyl)cyclobutan-1-ol;hydrochloride is Cl.NC1(c2ccc(Br)cc2)CC(O)C1.
What is the InChIKey of 3-amino-3-(4-bromophenyl)cyclobutan-1-ol;hydrochloride?
The InChIKey is RJZKMQGPWMGTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO.ClH/c11-8-3-1-7(2-4-8)10(12)5-9(13)6-10;/h1-4,9,13H,5-6,12H2;1H.
What are the key properties of 3-amino-3-(4-bromophenyl)cyclobutan-1-ol;hydrochloride?
3-amino-3-(4-bromophenyl)cyclobutan-1-ol;hydrochloride has a molecular weight of 278.58 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-bromophenyl)cyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 126818574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).