4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol

C11H16ClNO2 — CID 46840087

IUPAC4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol
SMILESCOCCN(C)Cc1cc(Cl)ccc1O
InChIInChI=1S/C11H16ClNO2/c1-13(5-6-15-2)8-9-7-10(12)3-4-11(9)14/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyZMHLYOQDFJQIDJ-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.12
Rot. Bonds5

About 4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol

4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol (PubChem CID 46840087) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol
PubChem CID46840087
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol
SMILESCOCCN(C)Cc1cc(Cl)ccc1O
InChIInChI=1S/C11H16ClNO2/c1-13(5-6-15-2)8-9-7-10(12)3-4-11(9)14/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyZMHLYOQDFJQIDJ-UHFFFAOYSA-N
XLogP2.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.12
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-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol
CID 62682725
4-[(5-chloro-2-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068329
2-[[amino(methyl)amino]methyl]-4-chlorophenol
CID 130033260
4-chloro-2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol;bis(2,2,2-trifluoroacetic acid)
CID 46907950
5-chloro-2-[[3-methoxypropyl(methyl)amino]methyl]aniline
CID 62984797
1-(2,5-dichlorophenyl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61427107
4-[[(5-chloro-2-hydroxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 65051860
4-chloro-2-[(dipropylamino)methyl]phenol
CID 82977690
(2S)-1-(azepan-1-yl)-3-[4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol
CID 97282607
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51227933
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol
CID 82983680
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol (CID 46840087) is 4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol is COCCN(C)Cc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol?
The InChIKey is ZMHLYOQDFJQIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-13(5-6-15-2)8-9-7-10(12)3-4-11(9)14/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of 4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol?
4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol has a molecular weight of 229.71 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol is sourced from PubChem (CID 46840087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).