N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine

C10H16BrNOS — CID 104756410

IUPACN-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCc1sccc1Br
InChIInChI=1S/C10H16BrNOS/c1-10(2,13-3)7-12-6-9-8(11)4-5-14-9/h4-5,12H,6-7H2,1-3H3
InChIKeyFDQBLWWSIBXWGB-UHFFFAOYSA-N
MW278.21 g/mol
LogP3.03
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine

N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine (PubChem CID 104756410) has the molecular formula C10H16BrNOS and a molecular weight of 278.21 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
PubChem CID104756410
Molecular FormulaC10H16BrNOS
Molecular Weight278.21 g/mol
Exact Mass277.01
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCc1sccc1Br
InChIInChI=1S/C10H16BrNOS/c1-10(2,13-3)7-12-6-9-8(11)4-5-14-9/h4-5,12H,6-7H2,1-3H3
InChIKeyFDQBLWWSIBXWGB-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol
CID 65111901
methyl 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropanoate
CID 78952228
N-[(3-bromothiophen-2-yl)methyl]-1-(3,5-dimethylphenyl)methanamine
CID 78943535
2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol
CID 75525074
3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103266052
N-[(4-bromo-3-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115702697
N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine
CID 78943500
N-[(4-bromo-3-nitrophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 113243488
2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine
CID 114941526
4-(3-bromothiophen-2-yl)-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 80537070
1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79197988
2-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 55111248

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine (CID 104756410) is N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine is COC(C)(C)CNCc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine?
The InChIKey is FDQBLWWSIBXWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-10(2,13-3)7-12-6-9-8(11)4-5-14-9/h4-5,12H,6-7H2,1-3H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine?
N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine has a molecular weight of 278.21 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 104756410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).