1-(3-hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine

C18H17N3O — CID 118721784

IUPAC1-(3-hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine
SMILESCN(/C(N)=N/c1cccc2ccccc12)c1cccc(O)c1
InChIInChI=1S/C18H17N3O/c1-21(14-8-5-9-15(22)12-14)18(19)20-17-11-4-7-13-6-2-3-10-16(13)17/h2-12,22H,1H3,(H2,19,20)
InChIKeyCWCBVHXCMVXNLI-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.63
Rot. Bonds2

About 1-(3-hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine

1-(3-hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine (PubChem CID 118721784) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine
PubChem CID118721784
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-(3-hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine
SMILESCN(/C(N)=N/c1cccc2ccccc12)c1cccc(O)c1
InChIInChI=1S/C18H17N3O/c1-21(14-8-5-9-15(22)12-14)18(19)20-17-11-4-7-13-6-2-3-10-16(13)17/h2-12,22H,1H3,(H2,19,20)
InChIKeyCWCBVHXCMVXNLI-UHFFFAOYSA-N
XLogP3.63
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine?
The IUPAC name of 1-(3-hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine (CID 118721784) is 1-(3-hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine.
What is the SMILES notation for 1-(3-hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine?
The canonical SMILES for 1-(3-hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine is CN(/C(N)=N/c1cccc2ccccc12)c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine?
The InChIKey is CWCBVHXCMVXNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-21(14-8-5-9-15(22)12-14)18(19)20-17-11-4-7-13-6-2-3-10-16(13)17/h2-12,22H,1H3,(H2,19,20).
What are the key properties of 1-(3-hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine?
1-(3-hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine has a molecular weight of 291.35 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-1-methyl-2-naphthalen-1-ylguanidine is sourced from PubChem (CID 118721784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).