N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine

C11H18BrNOS — CID 78986456

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(Cc1ccc(Br)s1)C(C)C
InChIInChI=1S/C11H18BrNOS/c1-9(2)13(6-7-14-3)8-10-4-5-11(12)15-10/h4-5,9H,6-8H2,1-3H3
InChIKeyUYONPAQYIXTZSX-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.37
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine

N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine (PubChem CID 78986456) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
PubChem CID78986456
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(Cc1ccc(Br)s1)C(C)C
InChIInChI=1S/C11H18BrNOS/c1-9(2)13(6-7-14-3)8-10-4-5-11(12)15-10/h4-5,9H,6-8H2,1-3H3
InChIKeyUYONPAQYIXTZSX-UHFFFAOYSA-N
XLogP3.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone
CID 82950806
2-[[(5-bromothiophen-2-yl)methyl-propan-2-ylamino]methyl]aniline
CID 43460471
N-(2-methoxyethyl)-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103438491
1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol
CID 62332796
N-[(5-bromothiophen-2-yl)methyl]-N-(2-chloroethyl)pentan-3-amine
CID 63388005
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150572
2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol
CID 115736745
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methoxypropanamide
CID 81082576
methyl 3-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanoate
CID 55028537
1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203922
N-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 133358291
2-[[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838307

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine (CID 78986456) is N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine is COCCN(Cc1ccc(Br)s1)C(C)C.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine?
The InChIKey is UYONPAQYIXTZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-9(2)13(6-7-14-3)8-10-4-5-11(12)15-10/h4-5,9H,6-8H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine?
N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine has a molecular weight of 292.24 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 78986456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).