1-[4-(dimethylamino)phenyl]-2-methylguanidine

C10H16N4 — CID 62381292

IUPAC1-[4-(dimethylamino)phenyl]-2-methylguanidine
SMILESC/N=C(\N)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C10H16N4/c1-12-10(11)13-8-4-6-9(7-5-8)14(2)3/h4-7H,1-3H3,(H3,11,12,13)
InChIKeyABWNYMBHVRVNHK-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.11
Rot. Bonds2

About 1-[4-(dimethylamino)phenyl]-2-methylguanidine

1-[4-(dimethylamino)phenyl]-2-methylguanidine (PubChem CID 62381292) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2-methylguanidine
PubChem CID62381292
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1-[4-(dimethylamino)phenyl]-2-methylguanidine
SMILESC/N=C(\N)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C10H16N4/c1-12-10(11)13-8-4-6-9(7-5-8)14(2)3/h4-7H,1-3H3,(H3,11,12,13)
InChIKeyABWNYMBHVRVNHK-UHFFFAOYSA-N
XLogP1.11
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2-methylguanidine
CID 20543496
2-methyl-1-(4-methylsulfanylphenyl)guanidine
CID 62380340
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine
CID 111089141
1-[4-(difluoromethylsulfanyl)phenyl]-2-methylguanidine
CID 62380007
2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine
CID 142010963
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111089118
3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920623
1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143918
3-[4-[(N'-methylcarbamimidoyl)amino]phenyl]propanoic acid
CID 68909409
[4-(dimethylamino)anilino]thiourea
CID 87110505
[4-[(N'-methylcarbamimidoyl)amino]phenyl] propanoate
CID 68910088
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2-methylguanidine?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2-methylguanidine (CID 62381292) is 1-[4-(dimethylamino)phenyl]-2-methylguanidine.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2-methylguanidine?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2-methylguanidine is C/N=C(\N)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2-methylguanidine?
The InChIKey is ABWNYMBHVRVNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-12-10(11)13-8-4-6-9(7-5-8)14(2)3/h4-7H,1-3H3,(H3,11,12,13).
What are the key properties of 1-[4-(dimethylamino)phenyl]-2-methylguanidine?
1-[4-(dimethylamino)phenyl]-2-methylguanidine has a molecular weight of 192.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2-methylguanidine is sourced from PubChem (CID 62381292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).