2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol

C8H12BrNOS — CID 63215836

IUPAC2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol
SMILESNCC(CO)Cc1sccc1Br
InChIInChI=1S/C8H12BrNOS/c9-7-1-2-12-8(7)3-6(4-10)5-11/h1-2,6,11H,3-5,10H2
InChIKeyXPAFWXXNIJPTPM-UHFFFAOYSA-N
MW250.16 g/mol
LogP1.62
Rot. Bonds4

About 2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol

2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol (PubChem CID 63215836) has the molecular formula C8H12BrNOS and a molecular weight of 250.16 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol
PubChem CID63215836
Molecular FormulaC8H12BrNOS
Molecular Weight250.16 g/mol
Exact Mass248.98
IUPAC Name2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol
SMILESNCC(CO)Cc1sccc1Br
InChIInChI=1S/C8H12BrNOS/c9-7-1-2-12-8(7)3-6(4-10)5-11/h1-2,6,11H,3-5,10H2
InChIKeyXPAFWXXNIJPTPM-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol (CID 63215836) is 2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol is NCC(CO)Cc1sccc1Br.
What is the InChIKey of 2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol?
The InChIKey is XPAFWXXNIJPTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNOS/c9-7-1-2-12-8(7)3-6(4-10)5-11/h1-2,6,11H,3-5,10H2.
What are the key properties of 2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol?
2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol has a molecular weight of 250.16 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 63215836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).