2-(3-methoxyphenyl)-1H-perimidine;hydrochloride

C18H15ClN2O — CID 126477763

IUPAC2-(3-methoxyphenyl)-1H-perimidine;hydrochloride
SMILESCOc1cccc(C2=Nc3cccc4cccc(c34)N2)c1.Cl
InChIInChI=1S/C18H14N2O.ClH/c1-21-14-8-2-7-13(11-14)18-19-15-9-3-5-12-6-4-10-16(20-18)17(12)15;/h2-11H,1H3,(H,19,20);1H
InChIKeyCVDABCRZBXKNGI-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.77
Rot. Bonds2

About 2-(3-methoxyphenyl)-1H-perimidine;hydrochloride

2-(3-methoxyphenyl)-1H-perimidine;hydrochloride (PubChem CID 126477763) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1H-perimidine;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1H-perimidine;hydrochloride
PubChem CID126477763
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name2-(3-methoxyphenyl)-1H-perimidine;hydrochloride
SMILESCOc1cccc(C2=Nc3cccc4cccc(c34)N2)c1.Cl
InChIInChI=1S/C18H14N2O.ClH/c1-21-14-8-2-7-13(11-14)18-19-15-9-3-5-12-6-4-10-16(20-18)17(12)15;/h2-11H,1H3,(H,19,20);1H
InChIKeyCVDABCRZBXKNGI-UHFFFAOYSA-N
XLogP4.77
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione
CID 82171043
2-(3-methoxyphenyl)benzo[cd]indol-3-ol
CID 135428171
2-(1H-perimidin-2-yl)phenol
CID 135596650
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2-(3-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 3771231
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2-(2-nitronaphthalen-1-yl)-1H-perimidine
CID 67733396
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645
5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one
CID 22378610

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1H-perimidine;hydrochloride?
The IUPAC name of 2-(3-methoxyphenyl)-1H-perimidine;hydrochloride (CID 126477763) is 2-(3-methoxyphenyl)-1H-perimidine;hydrochloride.
What is the SMILES notation for 2-(3-methoxyphenyl)-1H-perimidine;hydrochloride?
The canonical SMILES for 2-(3-methoxyphenyl)-1H-perimidine;hydrochloride is COc1cccc(C2=Nc3cccc4cccc(c34)N2)c1.Cl.
What is the InChIKey of 2-(3-methoxyphenyl)-1H-perimidine;hydrochloride?
The InChIKey is CVDABCRZBXKNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O.ClH/c1-21-14-8-2-7-13(11-14)18-19-15-9-3-5-12-6-4-10-16(20-18)17(12)15;/h2-11H,1H3,(H,19,20);1H.
What are the key properties of 2-(3-methoxyphenyl)-1H-perimidine;hydrochloride?
2-(3-methoxyphenyl)-1H-perimidine;hydrochloride has a molecular weight of 310.78 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1H-perimidine;hydrochloride is sourced from PubChem (CID 126477763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).