1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol

C11H18BrNOS — CID 111118505

IUPAC1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNCc1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-8(2)11(3,14)7-13-6-9-4-5-10(12)15-9/h4-5,8,13-14H,6-7H2,1-3H3
InChIKeyDJIIQSOFLGOOQY-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.01
Rot. Bonds5

About 1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol

1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol (PubChem CID 111118505) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol
PubChem CID111118505
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNCc1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-8(2)11(3,14)7-13-6-9-4-5-10(12)15-9/h4-5,8,13-14H,6-7H2,1-3H3
InChIKeyDJIIQSOFLGOOQY-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859642
2-[[(5-bromothiophen-2-yl)methylamino]methyl]-3-methylbutanoic acid
CID 115250321
N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine
CID 79256811
2-N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylbutane-1,2-diamine
CID 119929224
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63983195
1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol
CID 65146918
2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111484349
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol
CID 115978599
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
CID 93082561
N-[(5-bromothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 61484771

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol (CID 111118505) is 1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CNCc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol?
The InChIKey is DJIIQSOFLGOOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-8(2)11(3,14)7-13-6-9-4-5-10(12)15-9/h4-5,8,13-14H,6-7H2,1-3H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol?
1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol has a molecular weight of 292.24 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 111118505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).