4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol

C15H17ClN2O2 — CID 104646490

IUPAC4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol
SMILESCOc1cc(Cl)cc(CNCCc2ccncc2)c1O
InChIInChI=1S/C15H17ClN2O2/c1-20-14-9-13(16)8-12(15(14)19)10-18-7-4-11-2-5-17-6-3-11/h2-3,5-6,8-9,18-19H,4,7,10H2,1H3
InChIKeyAPHXMRKCVMTYIQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.78
Rot. Bonds6

About 4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol

4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol (PubChem CID 104646490) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol
PubChem CID104646490
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol
SMILESCOc1cc(Cl)cc(CNCCc2ccncc2)c1O
InChIInChI=1S/C15H17ClN2O2/c1-20-14-9-13(16)8-12(15(14)19)10-18-7-4-11-2-5-17-6-3-11/h2-3,5-6,8-9,18-19H,4,7,10H2,1H3
InChIKeyAPHXMRKCVMTYIQ-UHFFFAOYSA-N
XLogP2.78
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)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

4-chloro-2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 104646102
2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol
CID 54943974
4-chloro-2-methoxy-6-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]phenol
CID 104651121
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]propanoic acid
CID 104663774
4-chloro-2-methoxy-6-[(4-methoxybutylamino)methyl]phenol
CID 104646127
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 104646206
4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol
CID 113436734
4-chloro-2-[(2-ethylsulfinylethylamino)methyl]-6-methoxyphenol
CID 104646346
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-N-propylpropanamide
CID 104646157
2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106235635
4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 104646604

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol (CID 104646490) is 4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol is COc1cc(Cl)cc(CNCCc2ccncc2)c1O.
What is the InChIKey of 4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol?
The InChIKey is APHXMRKCVMTYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-20-14-9-13(16)8-12(15(14)19)10-18-7-4-11-2-5-17-6-3-11/h2-3,5-6,8-9,18-19H,4,7,10H2,1H3.
What are the key properties of 4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol?
4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol has a molecular weight of 292.77 g/mol, XLogP of 2.78, 6 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-[(2-pyridin-4-ylethylamino)methyl]phenol is sourced from PubChem (CID 104646490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).