1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol

C10H14BrNOS — CID 82307094

IUPAC1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol
SMILESCC(NC1CC1)C(O)c1cc(Br)cs1
InChIInChI=1S/C10H14BrNOS/c1-6(12-8-2-3-8)10(13)9-4-7(11)5-14-9/h4-6,8,10,12-13H,2-3H2,1H3
InChIKeyOJQJEWJQQAAKPE-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol

1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol (PubChem CID 82307094) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol
PubChem CID82307094
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol
SMILESCC(NC1CC1)C(O)c1cc(Br)cs1
InChIInChI=1S/C10H14BrNOS/c1-6(12-8-2-3-8)10(13)9-4-7(11)5-14-9/h4-6,8,10,12-13H,2-3H2,1H3
InChIKeyOJQJEWJQQAAKPE-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol (CID 82307094) is 1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol is CC(NC1CC1)C(O)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol?
The InChIKey is OJQJEWJQQAAKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-6(12-8-2-3-8)10(13)9-4-7(11)5-14-9/h4-6,8,10,12-13H,2-3H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol?
1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol has a molecular weight of 276.20 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol is sourced from PubChem (CID 82307094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).