2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde

C14H14ClNOS — CID 61436638

IUPAC2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde
SMILESCCN(Cc1cccs1)c1cccc(Cl)c1C=O
InChIInChI=1S/C14H14ClNOS/c1-2-16(9-11-5-4-8-18-11)14-7-3-6-13(15)12(14)10-17/h3-8,10H,2,9H2,1H3
InChIKeyXOYAZAXTSMUJJE-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.24
Rot. Bonds5

About 2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde

2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde (PubChem CID 61436638) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde
PubChem CID61436638
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde
SMILESCCN(Cc1cccs1)c1cccc(Cl)c1C=O
InChIInChI=1S/C14H14ClNOS/c1-2-16(9-11-5-4-8-18-11)14-7-3-6-13(15)12(14)10-17/h3-8,10H,2,9H2,1H3
InChIKeyXOYAZAXTSMUJJE-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.24
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-(bromomethyl)-3-chloro-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 107081314
4-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66334837
2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde
CID 63536486
3-chloro-2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61436708
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
2-chloro-4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 81152269
4-(bromomethyl)-2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 107081319
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 55181040
4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde
CID 62135933
5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione
CID 79342532
2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
CID 113332691
4-[ethyl(thiophen-2-ylmethyl)amino]-3-nitrobenzaldehyde
CID 60658726

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde?
The IUPAC name of 2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde (CID 61436638) is 2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde.
What is the SMILES notation for 2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde?
The canonical SMILES for 2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde is CCN(Cc1cccs1)c1cccc(Cl)c1C=O.
What is the InChIKey of 2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde?
The InChIKey is XOYAZAXTSMUJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-2-16(9-11-5-4-8-18-11)14-7-3-6-13(15)12(14)10-17/h3-8,10H,2,9H2,1H3.
What are the key properties of 2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde?
2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde has a molecular weight of 279.79 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde is sourced from PubChem (CID 61436638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).