[1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol

C12H16BrNO — CID 116944152

IUPAC[1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol
SMILESNC(c1ccc(Br)cc1)C1(CO)CCC1
InChIInChI=1S/C12H16BrNO/c13-10-4-2-9(3-5-10)11(14)12(8-15)6-1-7-12/h2-5,11,15H,1,6-8,14H2
InChIKeyGDPXKOYEDUOEIH-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.61
Rot. Bonds3

About [1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol

[1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol (PubChem CID 116944152) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is [1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol
PubChem CID116944152
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name[1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol
SMILESNC(c1ccc(Br)cc1)C1(CO)CCC1
InChIInChI=1S/C12H16BrNO/c13-10-4-2-9(3-5-10)11(14)12(8-15)6-1-7-12/h2-5,11,15H,1,6-8,14H2
InChIKeyGDPXKOYEDUOEIH-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol
CID 116944221
[1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol
CID 116944203
[1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol
CID 116944240
[1-(aminomethyl)cyclobutyl]-phenylmethanamine
CID 116943782
[1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol
CID 116944258
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol
CID 116944232
[3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol
CID 116944767
4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol
CID 125454143
[1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol
CID 116943281
[1-(aminomethyl)cyclobutyl]-(4-propylphenyl)methanamine
CID 116943807
1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol
CID 130055465
[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
CID 116943189

Frequently Asked Questions

What is the IUPAC name of [1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol (CID 116944152) is [1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol is NC(c1ccc(Br)cc1)C1(CO)CCC1.
What is the InChIKey of [1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol?
The InChIKey is GDPXKOYEDUOEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-10-4-2-9(3-5-10)11(14)12(8-15)6-1-7-12/h2-5,11,15H,1,6-8,14H2.
What are the key properties of [1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol?
[1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol has a molecular weight of 270.17 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116944152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).