2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol

C15H16Cl2N2OS — CID 135597898

IUPAC2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol
SMILESCN(C)[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)c1cccs1
InChIInChI=1S/C15H16Cl2N2OS/c1-19(2)13(14-4-3-5-21-14)9-18-8-10-6-11(16)7-12(17)15(10)20/h3-8,13,20H,9H2,1-2H3/b18-8+/t13-/m0/s1
InChIKeyLKIRVADZPRJHNM-VFJJTOLMSA-N
MW343.28 g/mol
LogP4.48
Rot. Bonds5

About 2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol

2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol (PubChem CID 135597898) has the molecular formula C15H16Cl2N2OS and a molecular weight of 343.28 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol
PubChem CID135597898
Molecular FormulaC15H16Cl2N2OS
Molecular Weight343.28 g/mol
Exact Mass342.04
IUPAC Name2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol
SMILESCN(C)[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)c1cccs1
InChIInChI=1S/C15H16Cl2N2OS/c1-19(2)13(14-4-3-5-21-14)9-18-8-10-6-11(16)7-12(17)15(10)20/h3-8,13,20H,9H2,1-2H3/b18-8+/t13-/m0/s1
InChIKeyLKIRVADZPRJHNM-VFJJTOLMSA-N
XLogP4.48
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol (CID 135597898) is 2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol is CN(C)[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)c1cccs1.
What is the InChIKey of 2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol?
The InChIKey is LKIRVADZPRJHNM-VFJJTOLMSA-N. The full InChI is InChI=1S/C15H16Cl2N2OS/c1-19(2)13(14-4-3-5-21-14)9-18-8-10-6-11(16)7-12(17)15(10)20/h3-8,13,20H,9H2,1-2H3/b18-8+/t13-/m0/s1.
What are the key properties of 2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol?
2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol has a molecular weight of 343.28 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]phenol is sourced from PubChem (CID 135597898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).