2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol

C15H23Cl2NO2 — CID 82986111

IUPAC2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
SMILESCCC(CC)N(CCOC)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H23Cl2NO2/c1-4-13(5-2)18(6-7-20-3)10-11-8-12(16)9-14(17)15(11)19/h8-9,13,19H,4-7,10H2,1-3H3
InChIKeyMUCRMLXBJCDZOI-UHFFFAOYSA-N
MW320.26 g/mol
LogP4.34
Rot. Bonds8

About 2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol

2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol (PubChem CID 82986111) has the molecular formula C15H23Cl2NO2 and a molecular weight of 320.26 g/mol. Its IUPAC name is 2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
PubChem CID82986111
Molecular FormulaC15H23Cl2NO2
Molecular Weight320.26 g/mol
Exact Mass319.11
IUPAC Name2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
SMILESCCC(CC)N(CCOC)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H23Cl2NO2/c1-4-13(5-2)18(6-7-20-3)10-11-8-12(16)9-14(17)15(11)19/h8-9,13,19H,4-7,10H2,1-3H3
InChIKeyMUCRMLXBJCDZOI-UHFFFAOYSA-N
XLogP4.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol
CID 104643533
2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol
CID 82966178
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 106993658
2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol
CID 112754699
4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 113436169
2-chloro-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 112616395
2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 82979017
2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol
CID 82986125
N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 55004588
2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82986263
N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 76912160
5-bromo-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]aniline
CID 79712411

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol (CID 82986111) is 2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol is CCC(CC)N(CCOC)Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol?
The InChIKey is MUCRMLXBJCDZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO2/c1-4-13(5-2)18(6-7-20-3)10-11-8-12(16)9-14(17)15(11)19/h8-9,13,19H,4-7,10H2,1-3H3.
What are the key properties of 2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol?
2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol has a molecular weight of 320.26 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 82986111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).