2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol

C14H22ClNO2 — CID 112553488

IUPAC2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
SMILESCOCCN(Cc1cccc(Cl)c1O)CC(C)C
InChIInChI=1S/C14H22ClNO2/c1-11(2)9-16(7-8-18-3)10-12-5-4-6-13(15)14(12)17/h4-6,11,17H,7-10H2,1-3H3
InChIKeyIJJUOXMAAGBERT-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.15
Rot. Bonds7

About 2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol

2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol (PubChem CID 112553488) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
PubChem CID112553488
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
SMILESCOCCN(Cc1cccc(Cl)c1O)CC(C)C
InChIInChI=1S/C14H22ClNO2/c1-11(2)9-16(7-8-18-3)10-12-5-4-6-13(15)14(12)17/h4-6,11,17H,7-10H2,1-3H3
InChIKeyIJJUOXMAAGBERT-UHFFFAOYSA-N
XLogP3.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.15
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-chloro-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 112616395
2-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 82982520
2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol
CID 112553496
3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 102667838
2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
CID 112616382
2-(2-chlorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 78853411
2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol
CID 115903812
2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol
CID 112554421
5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline
CID 64770363
2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 82981827
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 114481829
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol
CID 112553492

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol (CID 112553488) is 2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol is COCCN(Cc1cccc(Cl)c1O)CC(C)C.
What is the InChIKey of 2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol?
The InChIKey is IJJUOXMAAGBERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-11(2)9-16(7-8-18-3)10-12-5-4-6-13(15)14(12)17/h4-6,11,17H,7-10H2,1-3H3.
What are the key properties of 2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol?
2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol has a molecular weight of 271.79 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol is sourced from PubChem (CID 112553488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).