2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol

C15H23Cl2NO3 — CID 82966178

IUPAC2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol
SMILESCCOCCN(CCOCC)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H23Cl2NO3/c1-3-20-7-5-18(6-8-21-4-2)11-12-9-13(16)10-14(17)15(12)19/h9-10,19H,3-8,11H2,1-2H3
InChIKeyCQMUOKOOCFWZKF-UHFFFAOYSA-N
MW336.26 g/mol
LogP3.57
Rot. Bonds10

About 2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol

2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol (PubChem CID 82966178) has the molecular formula C15H23Cl2NO3 and a molecular weight of 336.26 g/mol. Its IUPAC name is 2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol.

Molecular Properties

Compound Name2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol
PubChem CID82966178
Molecular FormulaC15H23Cl2NO3
Molecular Weight336.26 g/mol
Exact Mass335.11
IUPAC Name2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol
SMILESCCOCCN(CCOCC)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H23Cl2NO3/c1-3-20-7-5-18(6-8-21-4-2)11-12-9-13(16)10-14(17)15(12)19/h9-10,19H,3-8,11H2,1-2H3
InChIKeyCQMUOKOOCFWZKF-UHFFFAOYSA-N
XLogP3.57
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol
CID 82978878
2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82981653
2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82986111
2,4-dichloro-6-[(ethoxyamino)methyl]phenol
CID 82710474
2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol
CID 115958911
2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol
CID 82986125
2,4-dichloro-6-[(N-ethylanilino)methyl]phenol
CID 82974543
2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol
CID 112754699
2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 82978834
N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide
CID 103891151
N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82959881
2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol
CID 82981087

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol?
The IUPAC name of 2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol (CID 82966178) is 2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol.
What is the SMILES notation for 2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol?
The canonical SMILES for 2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol is CCOCCN(CCOCC)Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol?
The InChIKey is CQMUOKOOCFWZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO3/c1-3-20-7-5-18(6-8-21-4-2)11-12-9-13(16)10-14(17)15(12)19/h9-10,19H,3-8,11H2,1-2H3.
What are the key properties of 2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol?
2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol has a molecular weight of 336.26 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol is sourced from PubChem (CID 82966178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).