2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol

C10H16BrNOS — CID 43771158

IUPAC2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1sccc1Br
InChIInChI=1S/C10H16BrNOS/c1-3-8(6-13)12-7(2)10-9(11)4-5-14-10/h4-5,7-8,12-13H,3,6H2,1-2H3
InChIKeyKFCNOHJCUVUGSK-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.93
Rot. Bonds5

About 2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol

2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol (PubChem CID 43771158) has the molecular formula C10H16BrNOS and a molecular weight of 278.21 g/mol. Its IUPAC name is 2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol
PubChem CID43771158
Molecular FormulaC10H16BrNOS
Molecular Weight278.21 g/mol
Exact Mass277.01
IUPAC Name2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1sccc1Br
InChIInChI=1S/C10H16BrNOS/c1-3-8(6-13)12-7(2)10-9(11)4-5-14-10/h4-5,7-8,12-13H,3,6H2,1-2H3
InChIKeyKFCNOHJCUVUGSK-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[1-(3-bromothiophen-2-yl)ethylamino]butyl]carbamate
CID 107250780
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine
CID 43775777
2-(1-thiophen-2-ylethylamino)butan-1-ol
CID 43207104
ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate
CID 61498304
(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 104980461
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721977
2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide
CID 106344151
(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361
(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824359
(1R)-1-(3-bromothiophen-2-yl)propan-1-ol
CID 82758861
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 54863047
(1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine
CID 81383637

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol?
The IUPAC name of 2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol (CID 43771158) is 2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for 2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol is CCC(CO)NC(C)c1sccc1Br.
What is the InChIKey of 2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol?
The InChIKey is KFCNOHJCUVUGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-3-8(6-13)12-7(2)10-9(11)4-5-14-10/h4-5,7-8,12-13H,3,6H2,1-2H3.
What are the key properties of 2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol?
2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol has a molecular weight of 278.21 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 43771158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).