3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol

C14H16BrNO2 — CID 65187892

IUPAC3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H16BrNO2/c1-9-2-4-10(5-3-9)11(8-16)14(17)12-6-7-13(15)18-12/h2-7,11,14,17H,8,16H2,1H3
InChIKeyXZROTIQGCODAHC-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.13
Rot. Bonds4

About 3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol

3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol (PubChem CID 65187892) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol
PubChem CID65187892
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H16BrNO2/c1-9-2-4-10(5-3-9)11(8-16)14(17)12-6-7-13(15)18-12/h2-7,11,14,17H,8,16H2,1H3
InChIKeyXZROTIQGCODAHC-UHFFFAOYSA-N
XLogP3.13
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 81308542
3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol
CID 65187627
3-amino-2-(4-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188149
1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol
CID 65187887
1-amino-2-(4-methylphenyl)pentan-3-ol
CID 65187998
3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65187789
1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol
CID 65187944
3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 106690431
3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187891
3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65188048
3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 107100511
3-amino-1-(2,3-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187784

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol (CID 65187892) is 3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol is Cc1ccc(C(CN)C(O)c2ccc(Br)o2)cc1.
What is the InChIKey of 3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol?
The InChIKey is XZROTIQGCODAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-9-2-4-10(5-3-9)11(8-16)14(17)12-6-7-13(15)18-12/h2-7,11,14,17H,8,16H2,1H3.
What are the key properties of 3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol?
3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol has a molecular weight of 310.19 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 65187892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).