2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde

C8H10BrNOS — CID 62053063

IUPAC2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde
SMILESCN(CC=O)Cc1cc(Br)cs1
InChIInChI=1S/C8H10BrNOS/c1-10(2-3-11)5-8-4-7(9)6-12-8/h3-4,6H,2,5H2,1H3
InChIKeyNTUXBUFDFHYBKN-UHFFFAOYSA-N
MW248.14 g/mol
LogP2.14
Rot. Bonds4

About 2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde

2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde (PubChem CID 62053063) has the molecular formula C8H10BrNOS and a molecular weight of 248.14 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde
PubChem CID62053063
Molecular FormulaC8H10BrNOS
Molecular Weight248.14 g/mol
Exact Mass246.97
IUPAC Name2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde
SMILESCN(CC=O)Cc1cc(Br)cs1
InChIInChI=1S/C8H10BrNOS/c1-10(2-3-11)5-8-4-7(9)6-12-8/h3-4,6H,2,5H2,1H3
InChIKeyNTUXBUFDFHYBKN-UHFFFAOYSA-N
XLogP2.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-4-[(4-bromothiophen-2-yl)methyl-methylamino]but-2-enoate
CID 80549177
N'-[(4-bromothiophen-2-yl)methyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62430991
N'-[(4-bromothiophen-2-yl)methyl]-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 55090281
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63864847
N'-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N-propylbutane-1,4-diamine
CID 62430992
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 63458492
3-[(4-bromothiophen-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 76910166
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221598
1-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 62271978
1-(4-bromophenyl)-3-[(4-bromothiophen-2-yl)methyl-methylamino]propan-1-one
CID 63482092
N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 63458325
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde (CID 62053063) is 2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde is CN(CC=O)Cc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde?
The InChIKey is NTUXBUFDFHYBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c1-10(2-3-11)5-8-4-7(9)6-12-8/h3-4,6H,2,5H2,1H3.
What are the key properties of 2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde?
2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde has a molecular weight of 248.14 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde is sourced from PubChem (CID 62053063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).