2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde

C13H11BrClNOS — CID 114844120

IUPAC2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde
SMILESCN(Cc1cc(Br)cs1)c1ccc(Cl)cc1C=O
InChIInChI=1S/C13H11BrClNOS/c1-16(6-12-5-10(14)8-18-12)13-3-2-11(15)4-9(13)7-17/h2-5,7-8H,6H2,1H3
InChIKeyUIJWQNKMLFDPKL-UHFFFAOYSA-N
MW344.66 g/mol
LogP4.61
Rot. Bonds4

About 2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde

2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde (PubChem CID 114844120) has the molecular formula C13H11BrClNOS and a molecular weight of 344.66 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde
PubChem CID114844120
Molecular FormulaC13H11BrClNOS
Molecular Weight344.66 g/mol
Exact Mass342.94
IUPAC Name2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde
SMILESCN(Cc1cc(Br)cs1)c1ccc(Cl)cc1C=O
InChIInChI=1S/C13H11BrClNOS/c1-16(6-12-5-10(14)8-18-12)13-3-2-11(15)4-9(13)7-17/h2-5,7-8H,6H2,1H3
InChIKeyUIJWQNKMLFDPKL-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.66
LogP ≤ 54.61
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

2-[(4-bromothiophen-2-yl)methyl-methylamino]-3-fluorobenzaldehyde
CID 114067058
N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 63458325
5-chloro-2-[(4-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 114844036
4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde
CID 114843956
5-chloro-2-[methyl(pentyl)amino]benzaldehyde
CID 114843937
N'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 63503741
2-(2-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methylaniline
CID 63787358
4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-2-fluoro-N-methylaniline
CID 54984893
N-[(4-bromothiophen-2-yl)methyl]-2-fluoro-N-methyl-4-(methylaminomethyl)aniline
CID 54984847
2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde
CID 62053063
2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde
CID 61415174
4-[(4-bromothiophen-2-yl)methyl-methylamino]-3-methylbenzonitrile
CID 54984570

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde (CID 114844120) is 2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde is CN(Cc1cc(Br)cs1)c1ccc(Cl)cc1C=O.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde?
The InChIKey is UIJWQNKMLFDPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNOS/c1-16(6-12-5-10(14)8-18-12)13-3-2-11(15)4-9(13)7-17/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde?
2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde has a molecular weight of 344.66 g/mol, XLogP of 4.61, 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]-5-chlorobenzaldehyde is sourced from PubChem (CID 114844120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).