2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol

C9H12BrNOS — CID 61346029

IUPAC2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol
SMILESOCC(NC1CC1)c1cc(Br)cs1
InChIInChI=1S/C9H12BrNOS/c10-6-3-9(13-5-6)8(4-12)11-7-1-2-7/h3,5,7-8,11-12H,1-2,4H2
InChIKeyDVKKBGXVCOWYSW-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.30
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol

2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol (PubChem CID 61346029) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol
PubChem CID61346029
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol
SMILESOCC(NC1CC1)c1cc(Br)cs1
InChIInChI=1S/C9H12BrNOS/c10-6-3-9(13-5-6)8(4-12)11-7-1-2-7/h3,5,7-8,11-12H,1-2,4H2
InChIKeyDVKKBGXVCOWYSW-UHFFFAOYSA-N
XLogP2.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine
CID 107167098
1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol
CID 82307094
2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61347967
2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol
CID 61348164
N-[1-(4-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 107167232
N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine
CID 107167565
2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol
CID 61056839
2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
CID 116857267
N-[1-(4-bromothiophen-2-yl)ethyl]oxan-4-amine
CID 107167286
N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 107167172
2-(4-bromothiophen-2-yl)-2-(1-methylpiperidin-4-yl)ethanol
CID 116825237
2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol
CID 116942398

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol (CID 61346029) is 2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol is OCC(NC1CC1)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol?
The InChIKey is DVKKBGXVCOWYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c10-6-3-9(13-5-6)8(4-12)11-7-1-2-7/h3,5,7-8,11-12H,1-2,4H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol?
2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol has a molecular weight of 262.17 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol is sourced from PubChem (CID 61346029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).