2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine

C18H22N4O — CID 142010963

IUPAC2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine
SMILESC=C(/N=C(\N)Nc1ccc(OC)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H22N4O/c1-13(14-5-9-16(10-6-14)22(2)3)20-18(19)21-15-7-11-17(23-4)12-8-15/h5-12H,1H2,2-4H3,(H3,19,20,21)
InChIKeyBOOYVBBECNIKNO-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.16
Rot. Bonds5

About 2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine

2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine (PubChem CID 142010963) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine
PubChem CID142010963
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine
SMILESC=C(/N=C(\N)Nc1ccc(OC)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H22N4O/c1-13(14-5-9-16(10-6-14)22(2)3)20-18(19)21-15-7-11-17(23-4)12-8-15/h5-12H,1H2,2-4H3,(H3,19,20,21)
InChIKeyBOOYVBBECNIKNO-UHFFFAOYSA-N
XLogP3.16
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111089118
1-[4-(dimethylamino)phenyl]-2-methylguanidine
CID 62381292
N-[4-(dimethylamino)phenyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969421
3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide
CID 90699316
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
CID 113049591
[4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate
CID 151717833
1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108894850
N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide
CID 110678384
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111096559
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine?
The IUPAC name of 2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine (CID 142010963) is 2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine?
The canonical SMILES for 2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine is C=C(/N=C(\N)Nc1ccc(OC)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine?
The InChIKey is BOOYVBBECNIKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13(14-5-9-16(10-6-14)22(2)3)20-18(19)21-15-7-11-17(23-4)12-8-15/h5-12H,1H2,2-4H3,(H3,19,20,21).
What are the key properties of 2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine?
2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine has a molecular weight of 310.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 142010963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).