2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol

C9H14BrNOS — CID 21152201

IUPAC2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol
SMILESCC(C)C(N)C(O)c1cc(Br)cs1
InChIInChI=1S/C9H14BrNOS/c1-5(2)8(11)9(12)7-3-6(10)4-13-7/h3-5,8-9,12H,11H2,1-2H3
InChIKeyRLLOCUHIPGDYPH-UHFFFAOYSA-N
MW264.19 g/mol
LogP2.53
Rot. Bonds3

About 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol

2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol (PubChem CID 21152201) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol
PubChem CID21152201
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol
SMILESCC(C)C(N)C(O)c1cc(Br)cs1
InChIInChI=1S/C9H14BrNOS/c1-5(2)8(11)9(12)7-3-6(10)4-13-7/h3-5,8-9,12H,11H2,1-2H3
InChIKeyRLLOCUHIPGDYPH-UHFFFAOYSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)ethanol
CID 12792392
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
2-[amino-(4-bromothiophen-2-yl)methyl]-3-methylbutanenitrile
CID 116946358
1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol
CID 82307094
methyl 2-[amino-(4-bromothiophen-2-yl)methyl]-3-methylbutanoate
CID 116946092
amino 2-(4-bromothiophen-2-yl)propanoate
CID 90857194
2-amino-1-(4-methylthiophen-2-yl)propan-1-ol
CID 19422956
1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 3046798
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol
CID 116942398

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol?
The IUPAC name of 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol (CID 21152201) is 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol is CC(C)C(N)C(O)c1cc(Br)cs1.
What is the InChIKey of 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol?
The InChIKey is RLLOCUHIPGDYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-5(2)8(11)9(12)7-3-6(10)4-13-7/h3-5,8-9,12H,11H2,1-2H3.
What are the key properties of 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol?
2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol has a molecular weight of 264.19 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 21152201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).