N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine

C23H25ClN2O2 — CID 66531883

IUPACN-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine
SMILESCCOc1cc(CNCc2ccccn2)c(Cl)cc1OCc1ccccc1C
InChIInChI=1S/C23H25ClN2O2/c1-3-27-22-12-19(14-25-15-20-10-6-7-11-26-20)21(24)13-23(22)28-16-18-9-5-4-8-17(18)2/h4-13,25H,3,14-16H2,1-2H3
InChIKeyBNYJWIAQFRQLOK-UHFFFAOYSA-N
MW396.92 g/mol
LogP5.31
Rot. Bonds9

About N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine

N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine (PubChem CID 66531883) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine
PubChem CID66531883
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC NameN-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine
SMILESCCOc1cc(CNCc2ccccn2)c(Cl)cc1OCc1ccccc1C
InChIInChI=1S/C23H25ClN2O2/c1-3-27-22-12-19(14-25-15-20-10-6-7-11-26-20)21(24)13-23(22)28-16-18-9-5-4-8-17(18)2/h4-13,25H,3,14-16H2,1-2H3
InChIKeyBNYJWIAQFRQLOK-UHFFFAOYSA-N
XLogP5.31
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine 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

N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
CID 66531861
N'-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 66538081
N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 66540779
1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 17212712
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine
CID 66540911
N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 66531779
N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide
CID 66540513
N-[[2-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 66531075
N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 66530237
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine
CID 66531260
4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 66540882

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine (CID 66531883) is N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine is CCOc1cc(CNCc2ccccn2)c(Cl)cc1OCc1ccccc1C.
What is the InChIKey of N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is BNYJWIAQFRQLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c1-3-27-22-12-19(14-25-15-20-10-6-7-11-26-20)21(24)13-23(22)28-16-18-9-5-4-8-17(18)2/h4-13,25H,3,14-16H2,1-2H3.
What are the key properties of N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine?
N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 396.92 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 66531883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).