1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol

C9H14BrNOS — CID 115136851

IUPAC1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNOS/c1-9(2,12)6-11(3)8-5-4-7(10)13-8/h4-5,12H,6H2,1-3H3
InChIKeyNFVIDSXESWDGRD-UHFFFAOYSA-N
MW264.19 g/mol
LogP2.72
Rot. Bonds3

About 1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol

1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 115136851) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID115136851
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNOS/c1-9(2,12)6-11(3)8-5-4-7(10)13-8/h4-5,12H,6H2,1-3H3
InChIKeyNFVIDSXESWDGRD-UHFFFAOYSA-N
XLogP2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromothiophen-2-yl)-methylamino]-2,2-dimethylpropanenitrile
CID 115233901
[(5-bromothiophen-2-yl)-methylamino]methanol
CID 115228803
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 79386615
3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide
CID 115154895
N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine
CID 115201088
4-amino-1-[(5-bromothiophen-2-yl)-methylamino]butan-2-ol
CID 117039087
1-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79400046
4-[(5-bromothiophen-2-yl)-methylamino]-2-methylbutanoic acid
CID 115220620
N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine
CID 115213922
N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167022
N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide
CID 115193397
ethyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128742

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol (CID 115136851) is 1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is NFVIDSXESWDGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-9(2,12)6-11(3)8-5-4-7(10)13-8/h4-5,12H,6H2,1-3H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol?
1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 264.19 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 115136851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).