2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine

C18H24N4 — CID 111089141

IUPAC2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/CCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H24N4/c1-14-4-8-16(9-5-14)21-18(19)20-13-12-15-6-10-17(11-7-15)22(2)3/h4-11H,12-13H2,1-3H3,(H3,19,20,21)
InChIKeyDTQXJNVAQKVSRR-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.03
Rot. Bonds5

About 2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine

2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine (PubChem CID 111089141) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine
PubChem CID111089141
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/CCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H24N4/c1-14-4-8-16(9-5-14)21-18(19)20-13-12-15-6-10-17(11-7-15)22(2)3/h4-11H,12-13H2,1-3H3,(H3,19,20,21)
InChIKeyDTQXJNVAQKVSRR-UHFFFAOYSA-N
XLogP3.03
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111089118
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111089161
1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
CID 111069790
1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111066873
2-[7-(dimethylamino)heptyl]-1-(4-methylphenyl)guanidine
CID 111084897
3-[[amino-(4-methylanilino)methylidene]amino]-N,N-dimethylpropanamide
CID 111068206
1-(4-propan-2-yloxyphenyl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049798
1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111066872
2-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111024765
N-[4-[2-[[amino-(3,4-dimethylanilino)methylidene]amino]ethyl]phenyl]acetamide
CID 111086215
2-[[4-(dimethylamino)phenyl]methyl]-1-(3-methylphenyl)guanidine
CID 111033118

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine (CID 111089141) is 2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine is Cc1ccc(N/C(N)=N/CCc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine?
The InChIKey is DTQXJNVAQKVSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-4-8-16(9-5-14)21-18(19)20-13-12-15-6-10-17(11-7-15)22(2)3/h4-11H,12-13H2,1-3H3,(H3,19,20,21).
What are the key properties of 2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine?
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine has a molecular weight of 296.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine is sourced from PubChem (CID 111089141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).