2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol

C17H21ClN2O3 — CID 111113631

IUPAC2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol
SMILESCOc1ccc(OC)c(CN(CCO)Cc2cccnc2Cl)c1
InChIInChI=1S/C17H21ClN2O3/c1-22-15-5-6-16(23-2)14(10-15)12-20(8-9-21)11-13-4-3-7-19-17(13)18/h3-7,10,21H,8-9,11-12H2,1-2H3
InChIKeyPEYLSMSWVUDYBA-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.75
Rot. Bonds8

About 2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol

2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol (PubChem CID 111113631) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol
PubChem CID111113631
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol
SMILESCOc1ccc(OC)c(CN(CCO)Cc2cccnc2Cl)c1
InChIInChI=1S/C17H21ClN2O3/c1-22-15-5-6-16(23-2)14(10-15)12-20(8-9-21)11-13-4-3-7-19-17(13)18/h3-7,10,21H,8-9,11-12H2,1-2H3
InChIKeyPEYLSMSWVUDYBA-UHFFFAOYSA-N
XLogP2.75
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol 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-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol
CID 111116702
2-[(2-chloro-3-pyridinyl)methyl-propylamino]ethanol
CID 62470914
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613643
2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol
CID 62469822
3-[[(2,5-dimethoxyphenyl)methyl-(2-hydroxyethyl)amino]methyl]benzoic acid
CID 122029074
[2-[(2,5-dimethoxyphenyl)methyl]-3-pyridinyl]methanol
CID 10658939
2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol
CID 60686064
2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932185
2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 30983525
N-[(2-chloro-3-pyridinyl)methyl]-N-ethylpropan-1-amine
CID 62470730
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60761595
2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
CID 65326713

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol (CID 111113631) is 2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol is COc1ccc(OC)c(CN(CCO)Cc2cccnc2Cl)c1.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol?
The InChIKey is PEYLSMSWVUDYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-22-15-5-6-16(23-2)14(10-15)12-20(8-9-21)11-13-4-3-7-19-17(13)18/h3-7,10,21H,8-9,11-12H2,1-2H3.
What are the key properties of 2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol?
2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol has a molecular weight of 336.82 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol is sourced from PubChem (CID 111113631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).