1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine

C20H21N3 — CID 111069790

IUPAC1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
SMILESCc1ccc(N/C(N)=N/CCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H21N3/c1-15-6-10-19(11-7-15)23-20(21)22-13-12-16-8-9-17-4-2-3-5-18(17)14-16/h2-11,14H,12-13H2,1H3,(H3,21,22,23)
InChIKeyXPRRLEUGEVBEPO-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.12
Rot. Bonds4

About 1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine

1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine (PubChem CID 111069790) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
PubChem CID111069790
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
SMILESCc1ccc(N/C(N)=N/CCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H21N3/c1-15-6-10-19(11-7-15)23-20(21)22-13-12-16-8-9-17-4-2-3-5-18(17)14-16/h2-11,14H,12-13H2,1H3,(H3,21,22,23)
InChIKeyXPRRLEUGEVBEPO-UHFFFAOYSA-N
XLogP4.12
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(2-naphthalen-2-ylethyl)-1-phenylguanidine
CID 110926253
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine
CID 111089141
1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
CID 111069802
1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine
CID 111089911
2-[2-(3-methoxy-4-methylphenyl)ethyl]-1-phenylguanidine
CID 111459304
N-(4-methylphenyl)-2-naphthalen-2-ylacetamide
CID 9411639
1-(3-methylphenyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111022869
1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111066873
1-(4-methylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111039969
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-naphthalen-2-ylethyl)guanidine;hydroiodide
CID 111069787
2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111090301

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine?
The IUPAC name of 1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine (CID 111069790) is 1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine.
What is the SMILES notation for 1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine?
The canonical SMILES for 1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine is Cc1ccc(N/C(N)=N/CCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine?
The InChIKey is XPRRLEUGEVBEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-15-6-10-19(11-7-15)23-20(21)22-13-12-16-8-9-17-4-2-3-5-18(17)14-16/h2-11,14H,12-13H2,1H3,(H3,21,22,23).
What are the key properties of 1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine?
1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine has a molecular weight of 303.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine is sourced from PubChem (CID 111069790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).