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

C14H16BrNO3 — CID 106856327

IUPAC3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CN)C(O)c2ccoc2Br)cc1
InChIInChI=1S/C14H16BrNO3/c1-18-10-4-2-9(3-5-10)12(8-16)13(17)11-6-7-19-14(11)15/h2-7,12-13,17H,8,16H2,1H3
InChIKeyXKZBTTVMOLEBKH-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.83
Rot. Bonds5

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

3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol (PubChem CID 106856327) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol
PubChem CID106856327
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CN)C(O)c2ccoc2Br)cc1
InChIInChI=1S/C14H16BrNO3/c1-18-10-4-2-9(3-5-10)12(8-16)13(17)11-6-7-19-14(11)15/h2-7,12-13,17H,8,16H2,1H3
InChIKeyXKZBTTVMOLEBKH-UHFFFAOYSA-N
XLogP2.83
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185350
3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 107954980
(2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine
CID 106851764
3-amino-1-(4,5-dibromothiophen-2-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 80538027
3-amino-1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185300
3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189896
N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 106851671
1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol
CID 65185548
(2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol
CID 106855309
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753
1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine
CID 106857738
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65189569

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol (CID 106856327) is 3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(CN)C(O)c2ccoc2Br)cc1.
What is the InChIKey of 3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol?
The InChIKey is XKZBTTVMOLEBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-18-10-4-2-9(3-5-10)12(8-16)13(17)11-6-7-19-14(11)15/h2-7,12-13,17H,8,16H2,1H3.
What are the key properties of 3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol?
3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol has a molecular weight of 326.19 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 106856327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).