2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine

C22H19N3O — CID 142680141

IUPAC2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine
SMILESCOc1ccc(/N=C(\N)Nc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C22H19N3O/c1-26-21-14-13-20(17-10-4-5-11-18(17)21)25-22(23)24-19-12-6-8-15-7-2-3-9-16(15)19/h2-14H,1H3,(H3,23,24,25)
InChIKeyCMOVWYSRVKEUKV-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.06
Rot. Bonds3

About 2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine

2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine (PubChem CID 142680141) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine.

Molecular Properties

Compound Name2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine
PubChem CID142680141
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine
SMILESCOc1ccc(/N=C(\N)Nc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C22H19N3O/c1-26-21-14-13-20(17-10-4-5-11-18(17)21)25-22(23)24-19-12-6-8-15-7-2-3-9-16(15)19/h2-14H,1H3,(H3,23,24,25)
InChIKeyCMOVWYSRVKEUKV-UHFFFAOYSA-N
XLogP5.06
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.06
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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Related Compounds

2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine
CID 15284382
2-(2-bromo-3-methylphenyl)-1-naphthalen-1-ylguanidine
CID 139844863
1-naphthalen-1-yl-2-propan-2-ylguanidine
CID 55068402
1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046321
1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea
CID 971903
(N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate
CID 68502667
1-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylguanidine
CID 22120056
1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride
CID 22121814
naphthalen-1-ylurea;hydrochloride
CID 141142203
3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide
CID 94760233
1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride
CID 22121785
methanol;1-methoxynaphthalene;neptunium
CID 157299455

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine?
The IUPAC name of 2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine (CID 142680141) is 2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine.
What is the SMILES notation for 2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine?
The canonical SMILES for 2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine is COc1ccc(/N=C(\N)Nc2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine?
The InChIKey is CMOVWYSRVKEUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-26-21-14-13-20(17-10-4-5-11-18(17)21)25-22(23)24-19-12-6-8-15-7-2-3-9-16(15)19/h2-14H,1H3,(H3,23,24,25).
What are the key properties of 2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine?
2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine has a molecular weight of 341.41 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine is sourced from PubChem (CID 142680141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).