3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine

C24H22Cl2N4O2 — CID 161236656

IUPAC3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
SMILESNc1ncccc1OCc1c(Cl)cccc1Cl.Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C12H10Cl2N2O.C12H12N2O/c13-9-3-1-4-10(14)8(9)7-17-11-5-2-6-16-12(11)15;13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-6H,7H2,(H2,15,16);1-8H,9H2,(H2,13,14)
InChIKeyUZLOUOKNKPZUNK-UHFFFAOYSA-N
MW469.37 g/mol
LogP5.79
Rot. Bonds6

About 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine

3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine (PubChem CID 161236656) has the molecular formula C24H22Cl2N4O2 and a molecular weight of 469.37 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
PubChem CID161236656
Molecular FormulaC24H22Cl2N4O2
Molecular Weight469.37 g/mol
Exact Mass468.11
IUPAC Name3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
SMILESNc1ncccc1OCc1c(Cl)cccc1Cl.Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C12H10Cl2N2O.C12H12N2O/c13-9-3-1-4-10(14)8(9)7-17-11-5-2-6-16-12(11)15;13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-6H,7H2,(H2,15,16);1-8H,9H2,(H2,13,14)
InChIKeyUZLOUOKNKPZUNK-UHFFFAOYSA-N
XLogP5.79
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.37
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 161313048
3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 162141376
3-(thiophen-3-ylmethoxy)pyridin-2-amine
CID 43646070
2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 28825797
3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine
CID 43125741
3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine
CID 10331655
2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol
CID 10451208
3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine
CID 10356638
2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol
CID 78879031
[2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63677225
[2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine
CID 114318357
5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine
CID 21110956

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine?
The IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine (CID 161236656) is 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine is Nc1ncccc1OCc1c(Cl)cccc1Cl.Nc1ncccc1OCc1ccccc1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine?
The InChIKey is UZLOUOKNKPZUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O.C12H12N2O/c13-9-3-1-4-10(14)8(9)7-17-11-5-2-6-16-12(11)15;13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-6H,7H2,(H2,15,16);1-8H,9H2,(H2,13,14).
What are the key properties of 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine?
3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine has a molecular weight of 469.37 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 161236656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).