3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde

C15H14ClNOS — CID 114067045

IUPAC3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde
SMILESO=Cc1cccc(Cl)c1N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H14ClNOS/c16-14-5-1-3-11(10-18)15(14)17(12-6-7-12)9-13-4-2-8-19-13/h1-5,8,10,12H,6-7,9H2
InChIKeyTYZDNWATYZTUEL-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.38
Rot. Bonds5

About 3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde

3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde (PubChem CID 114067045) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is 3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde
PubChem CID114067045
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde
SMILESO=Cc1cccc(Cl)c1N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H14ClNOS/c16-14-5-1-3-11(10-18)15(14)17(12-6-7-12)9-13-4-2-8-19-13/h1-5,8,10,12H,6-7,9H2
InChIKeyTYZDNWATYZTUEL-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.38
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-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 114067735
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde
CID 80636982
2-chloro-N-cyclopropyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 81148558
5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114920935
6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 62863221
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834
5-chloro-N-cyclopropyl-6-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62288900
2-bromo-6-[cyclopropyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 114888164
N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133335275
2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 61436638
N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 133350927
2-chloro-4-[cyclopropyl(thiophen-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76981427

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde?
The IUPAC name of 3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde (CID 114067045) is 3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde.
What is the SMILES notation for 3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde?
The canonical SMILES for 3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde is O=Cc1cccc(Cl)c1N(Cc1cccs1)C1CC1.
What is the InChIKey of 3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde?
The InChIKey is TYZDNWATYZTUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c16-14-5-1-3-11(10-18)15(14)17(12-6-7-12)9-13-4-2-8-19-13/h1-5,8,10,12H,6-7,9H2.
What are the key properties of 3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde?
3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde has a molecular weight of 291.80 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde is sourced from PubChem (CID 114067045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).