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

C10H12BrNO — CID 67076295

IUPAC3-amino-1-(4-bromophenyl)cyclobutan-1-ol
SMILESNC1CC(O)(c2ccc(Br)cc2)C1
InChIInChI=1S/C10H12BrNO/c11-8-3-1-7(2-4-8)10(13)5-9(12)6-10/h1-4,9,13H,5-6,12H2
InChIKeyAQBVVEJCISFNIA-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.76
Rot. Bonds1

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

3-amino-1-(4-bromophenyl)cyclobutan-1-ol (PubChem CID 67076295) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 3-amino-1-(4-bromophenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromophenyl)cyclobutan-1-ol
PubChem CID67076295
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name3-amino-1-(4-bromophenyl)cyclobutan-1-ol
SMILESNC1CC(O)(c2ccc(Br)cc2)C1
InChIInChI=1S/C10H12BrNO/c11-8-3-1-7(2-4-8)10(13)5-9(12)6-10/h1-4,9,13H,5-6,12H2
InChIKeyAQBVVEJCISFNIA-UHFFFAOYSA-N
XLogP1.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 93911
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CID 3051529
2-Amino-1-(4-bromophenyl)propan-1-ol
CID 19422955
3-Amino-1-(4-bromophenyl)propan-1-ol
CID 56686930
cis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol
CID 90677987
4-(4-Bromophenyl)piperidin-4-ol hydrochloride
CID 18972306
3-(4-Bromophenyl)azetidin-3-ol hydrochloride
CID 122164542
trans-(1R,2R)-2-amino-1-phenylcyclobutan-1-ol
CID 90677986
2-Amino-1-(4-bromophenyl)-1-ethanol
CID 13728942
1-Amino-2-(2-bromophenyl)propan-2-ol hydrochloride
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(1R)-2-amino-1-(4-bromophenyl)ethan-1-ol hydrochloride
CID 155819881

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromophenyl)cyclobutan-1-ol?
The IUPAC name of 3-amino-1-(4-bromophenyl)cyclobutan-1-ol (CID 67076295) is 3-amino-1-(4-bromophenyl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromophenyl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromophenyl)cyclobutan-1-ol is NC1CC(O)(c2ccc(Br)cc2)C1.
What is the InChIKey of 3-amino-1-(4-bromophenyl)cyclobutan-1-ol?
The InChIKey is AQBVVEJCISFNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-8-3-1-7(2-4-8)10(13)5-9(12)6-10/h1-4,9,13H,5-6,12H2.
What are the key properties of 3-amino-1-(4-bromophenyl)cyclobutan-1-ol?
3-amino-1-(4-bromophenyl)cyclobutan-1-ol has a molecular weight of 242.12 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromophenyl)cyclobutan-1-ol is sourced from PubChem (CID 67076295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).