4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol

C14H20ClNO3 — CID 104643527

IUPAC4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol
SMILESCOc1cc(Cl)cc(CN(C)C2CCOCC2)c1O
InChIInChI=1S/C14H20ClNO3/c1-16(12-3-5-19-6-4-12)9-10-7-11(15)8-13(18-2)14(10)17/h7-8,12,17H,3-6,9H2,1-2H3
InChIKeyZQKJIDJCARTWJD-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.66
Rot. Bonds4

About 4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol

4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol (PubChem CID 104643527) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol
PubChem CID104643527
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol
SMILESCOc1cc(Cl)cc(CN(C)C2CCOCC2)c1O
InChIInChI=1S/C14H20ClNO3/c1-16(12-3-5-19-6-4-12)9-10-7-11(15)8-13(18-2)14(10)17/h7-8,12,17H,3-6,9H2,1-2H3
InChIKeyZQKJIDJCARTWJD-UHFFFAOYSA-N
XLogP2.66
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol (CID 104643527) is 4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol is COc1cc(Cl)cc(CN(C)C2CCOCC2)c1O.
What is the InChIKey of 4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol?
The InChIKey is ZQKJIDJCARTWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-16(12-3-5-19-6-4-12)9-10-7-11(15)8-13(18-2)14(10)17/h7-8,12,17H,3-6,9H2,1-2H3.
What are the key properties of 4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol?
4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol has a molecular weight of 285.77 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol is sourced from PubChem (CID 104643527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).