2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol

C21H21ClN2O2 — CID 136967884

IUPAC2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
SMILESCOc1cccc(-c2ccc(O)c(CNCCc3cccc(Cl)c3)c2)n1
InChIInChI=1S/C21H21ClN2O2/c1-26-21-7-3-6-19(24-21)16-8-9-20(25)17(13-16)14-23-11-10-15-4-2-5-18(22)12-15/h2-9,12-13,23,25H,10-11,14H2,1H3
InChIKeyBPMKSOGKKSTNMG-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.45
Rot. Bonds7

About 2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol

2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol (PubChem CID 136967884) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
PubChem CID136967884
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
SMILESCOc1cccc(-c2ccc(O)c(CNCCc3cccc(Cl)c3)c2)n1
InChIInChI=1S/C21H21ClN2O2/c1-26-21-7-3-6-19(24-21)16-8-9-20(25)17(13-16)14-23-11-10-15-4-2-5-18(22)12-15/h2-9,12-13,23,25H,10-11,14H2,1H3
InChIKeyBPMKSOGKKSTNMG-UHFFFAOYSA-N
XLogP4.45
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.45
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'}

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Related Compounds

2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 39380174
4-methoxy-2-[(2-phenylethylamino)methyl]phenol
CID 28615660
2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
CID 135971341
4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol
CID 45488367
N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
1-[2-(3-chlorophenyl)ethyl]-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 111357844
1-[2-(3-chlorophenyl)ethyl]-3-[(2-methoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111358229
2-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]ethanamine
CID 2250821
1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111785828
2-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367589
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine
CID 43410931
3-methoxy-2-[[5-(6-methoxy-2-pyridinyl)-2-methylphenyl]methyl]but-2-enoic acid
CID 139879837

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The IUPAC name of 2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol (CID 136967884) is 2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The canonical SMILES for 2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol is COc1cccc(-c2ccc(O)c(CNCCc3cccc(Cl)c3)c2)n1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The InChIKey is BPMKSOGKKSTNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-26-21-7-3-6-19(24-21)16-8-9-20(25)17(13-16)14-23-11-10-15-4-2-5-18(22)12-15/h2-9,12-13,23,25H,10-11,14H2,1H3.
What are the key properties of 2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol has a molecular weight of 368.86 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol is sourced from PubChem (CID 136967884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).