4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol

C14H20ClNO3 — CID 104646424

IUPAC4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
SMILESCOc1cc(Cl)cc(CNC(C)C2CCOC2)c1O
InChIInChI=1S/C14H20ClNO3/c1-9(10-3-4-19-8-10)16-7-11-5-12(15)6-13(18-2)14(11)17/h5-6,9-10,16-17H,3-4,7-8H2,1-2H3
InChIKeyCJRSURDUOQKFJZ-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.57
Rot. Bonds5

About 4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol

4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol (PubChem CID 104646424) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
PubChem CID104646424
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
SMILESCOc1cc(Cl)cc(CNC(C)C2CCOC2)c1O
InChIInChI=1S/C14H20ClNO3/c1-9(10-3-4-19-8-10)16-7-11-5-12(15)6-13(18-2)14(11)17/h5-6,9-10,16-17H,3-4,7-8H2,1-2H3
InChIKeyCJRSURDUOQKFJZ-UHFFFAOYSA-N
XLogP2.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]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

Related Compounds

2-bromo-6-methoxy-4-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115671294
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655223
N-[(2-bromo-5-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115660141
1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 115655170
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655289
4-[[1-(oxolan-3-yl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953590
2-bromo-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115655218
4-chloro-2-[(1,4-dioxan-2-ylmethylamino)methyl]-6-methoxyphenol
CID 104646147
N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 104664869
2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115907787
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 113260159

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol (CID 104646424) is 4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol is COc1cc(Cl)cc(CNC(C)C2CCOC2)c1O.
What is the InChIKey of 4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol?
The InChIKey is CJRSURDUOQKFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-9(10-3-4-19-8-10)16-7-11-5-12(15)6-13(18-2)14(11)17/h5-6,9-10,16-17H,3-4,7-8H2,1-2H3.
What are the key properties of 4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol?
4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol has a molecular weight of 285.77 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 104646424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).