2,4-dichloro-6-[(2-ethylanilino)methyl]phenol

C15H15Cl2NO — CID 28525259

IUPAC2,4-dichloro-6-[(2-ethylanilino)methyl]phenol
SMILESCCc1ccccc1NCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H15Cl2NO/c1-2-10-5-3-4-6-14(10)18-9-11-7-12(16)8-13(17)15(11)19/h3-8,18-19H,2,9H2,1H3
InChIKeyOESPBBFTVYJHCQ-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.87
Rot. Bonds4

About 2,4-dichloro-6-[(2-ethylanilino)methyl]phenol

2,4-dichloro-6-[(2-ethylanilino)methyl]phenol (PubChem CID 28525259) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2-ethylanilino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(2-ethylanilino)methyl]phenol
PubChem CID28525259
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2,4-dichloro-6-[(2-ethylanilino)methyl]phenol
SMILESCCc1ccccc1NCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H15Cl2NO/c1-2-10-5-3-4-6-14(10)18-9-11-7-12(16)8-13(17)15(11)19/h3-8,18-19H,2,9H2,1H3
InChIKeyOESPBBFTVYJHCQ-UHFFFAOYSA-N
XLogP4.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-6-[(2-propylanilino)methyl]phenol
CID 43687415
N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline
CID 54920225
2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol
CID 28540840
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
2,4-dichloro-6-[(2-chloro-4-iodoanilino)methyl]phenol
CID 43733779
2,4-dichloro-6-[(2-chloro-4-fluoroanilino)methyl]phenol
CID 29079835
2,4-dichloro-6-[(2-chloro-5-fluoroanilino)methyl]phenol
CID 107527486
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
CID 126117021
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 43425516
N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-2-ethylaniline
CID 126122492
2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol
CID 29274459
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2-ethylanilino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(2-ethylanilino)methyl]phenol (CID 28525259) is 2,4-dichloro-6-[(2-ethylanilino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(2-ethylanilino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(2-ethylanilino)methyl]phenol is CCc1ccccc1NCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(2-ethylanilino)methyl]phenol?
The InChIKey is OESPBBFTVYJHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-2-10-5-3-4-6-14(10)18-9-11-7-12(16)8-13(17)15(11)19/h3-8,18-19H,2,9H2,1H3.
What are the key properties of 2,4-dichloro-6-[(2-ethylanilino)methyl]phenol?
2,4-dichloro-6-[(2-ethylanilino)methyl]phenol has a molecular weight of 296.20 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2-ethylanilino)methyl]phenol is sourced from PubChem (CID 28525259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).