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

C15H15Cl2NO — CID 82974543

IUPAC2,4-dichloro-6-[(N-ethylanilino)methyl]phenol
SMILESCCN(Cc1cc(Cl)cc(Cl)c1O)c1ccccc1
InChIInChI=1S/C15H15Cl2NO/c1-2-18(13-6-4-3-5-7-13)10-11-8-12(16)9-14(17)15(11)19/h3-9,19H,2,10H2,1H3
InChIKeyPGDHTJCYLWDXCV-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.73
Rot. Bonds4

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

2,4-dichloro-6-[(N-ethylanilino)methyl]phenol (PubChem CID 82974543) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2,4-dichloro-6-[(N-ethylanilino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(N-ethylanilino)methyl]phenol
PubChem CID82974543
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2,4-dichloro-6-[(N-ethylanilino)methyl]phenol
SMILESCCN(Cc1cc(Cl)cc(Cl)c1O)c1ccccc1
InChIInChI=1S/C15H15Cl2NO/c1-2-18(13-6-4-3-5-7-13)10-11-8-12(16)9-14(17)15(11)19/h3-9,19H,2,10H2,1H3
InChIKeyPGDHTJCYLWDXCV-UHFFFAOYSA-N
XLogP4.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[(N-ethylanilino)methyl]benzoic acid
CID 102669786
2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol
CID 82981087
2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol
CID 112616167
2-[(N-ethylanilino)methyl]-6-fluorophenol
CID 112616054
2-[(N-ethylanilino)methyl]-4-fluorophenol
CID 102978616
4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol
CID 104667270
2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82981653
N,N-diethylaniline
CID 7061
N-[(4-chloro-2-pyridinyl)methyl]-N-ethylaniline
CID 79255784
dichloromethane;N,N-diethylaniline
CID 157472052
2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol
CID 82978878
2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol
CID 82966178

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(N-ethylanilino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(N-ethylanilino)methyl]phenol (CID 82974543) is 2,4-dichloro-6-[(N-ethylanilino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(N-ethylanilino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(N-ethylanilino)methyl]phenol is CCN(Cc1cc(Cl)cc(Cl)c1O)c1ccccc1.
What is the InChIKey of 2,4-dichloro-6-[(N-ethylanilino)methyl]phenol?
The InChIKey is PGDHTJCYLWDXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-2-18(13-6-4-3-5-7-13)10-11-8-12(16)9-14(17)15(11)19/h3-9,19H,2,10H2,1H3.
What are the key properties of 2,4-dichloro-6-[(N-ethylanilino)methyl]phenol?
2,4-dichloro-6-[(N-ethylanilino)methyl]phenol has a molecular weight of 296.20 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(N-ethylanilino)methyl]phenol is sourced from PubChem (CID 82974543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).