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

C12H17Cl2NO2 — CID 112754699

IUPAC2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol
SMILESCOC(C)CN(C)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H17Cl2NO2/c1-8(17-3)6-15(2)7-9-4-10(13)5-11(14)12(9)16/h4-5,8,16H,6-7H2,1-3H3
InChIKeyJMWIWXNHBPVQGD-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.17
Rot. Bonds5

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

2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol (PubChem CID 112754699) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol
PubChem CID112754699
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol
SMILESCOC(C)CN(C)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H17Cl2NO2/c1-8(17-3)6-15(2)7-9-4-10(13)5-11(14)12(9)16/h4-5,8,16H,6-7H2,1-3H3
InChIKeyJMWIWXNHBPVQGD-UHFFFAOYSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.17
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

2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol
CID 82986125
2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 82979017
2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol
CID 82981087
2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82986111
2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 82978834
2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol
CID 82709104
2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol
CID 82974965
2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol
CID 82978878
2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol
CID 82966178
4-chloro-2,6-bis[(dimethylamino)methyl]phenol;dihydrochloride
CID 131844775
methyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanoate
CID 60780743
1-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1-N-methylpropane-1,2-diamine
CID 115196670

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol (CID 112754699) is 2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol is COC(C)CN(C)Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol?
The InChIKey is JMWIWXNHBPVQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2/c1-8(17-3)6-15(2)7-9-4-10(13)5-11(14)12(9)16/h4-5,8,16H,6-7H2,1-3H3.
What are the key properties of 2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol?
2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol has a molecular weight of 278.18 g/mol, XLogP of 3.17, 5 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-methoxypropyl(methyl)amino]methyl]phenol is sourced from PubChem (CID 112754699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).