1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine

C22H22Cl2N2O2 — CID 17212712

IUPAC1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCCOc1cccc(CNCc2ccccn2)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H22Cl2N2O2/c1-2-27-21-8-5-6-16(13-25-14-19-7-3-4-11-26-19)22(21)28-15-17-9-10-18(23)12-20(17)24/h3-12,25H,2,13-15H2,1H3
InChIKeyXOGDNCQLFOFNEV-UHFFFAOYSA-N
MW417.34 g/mol
LogP5.66
Rot. Bonds9

About 1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine

1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 17212712) has the molecular formula C22H22Cl2N2O2 and a molecular weight of 417.34 g/mol. Its IUPAC name is 1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID17212712
Molecular FormulaC22H22Cl2N2O2
Molecular Weight417.34 g/mol
Exact Mass416.11
IUPAC Name1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCCOc1cccc(CNCc2ccccn2)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H22Cl2N2O2/c1-2-27-21-8-5-6-16(13-25-14-19-7-3-4-11-26-19)22(21)28-15-17-9-10-18(23)12-20(17)24/h3-12,25H,2,13-15H2,1H3
InChIKeyXOGDNCQLFOFNEV-UHFFFAOYSA-N
XLogP5.66
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.34
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212650
(2R)-1-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51987173
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methoxyethanamine
CID 17212686
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17206183
N'-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17216215
1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
CID 17206090
2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17209966
2-(2,4-dichlorophenyl)-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine
CID 17209851
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 17212690
N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine
CID 66531883
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 4720614
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 1017286

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine (CID 17212712) is 1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine is CCOc1cccc(CNCc2ccccn2)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is XOGDNCQLFOFNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O2/c1-2-27-21-8-5-6-16(13-25-14-19-7-3-4-11-26-19)22(21)28-15-17-9-10-18(23)12-20(17)24/h3-12,25H,2,13-15H2,1H3.
What are the key properties of 1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine?
1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 417.34 g/mol, XLogP of 5.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 17212712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).