1,1-bis(4-methoxyphenyl)guanidine

C15H17N3O2 — CID 19761906

IUPAC1,1-bis(4-methoxyphenyl)guanidine
SMILES[H]/N=C(\N)N(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C15H17N3O2/c1-19-13-7-3-11(4-8-13)18(15(16)17)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3,(H3,16,17)
InChIKeyNWSXVAYYKSFARA-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.74
Rot. Bonds4

About 1,1-bis(4-methoxyphenyl)guanidine

1,1-bis(4-methoxyphenyl)guanidine (PubChem CID 19761906) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1,1-bis(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name1,1-bis(4-methoxyphenyl)guanidine
PubChem CID19761906
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1,1-bis(4-methoxyphenyl)guanidine
SMILES[H]/N=C(\N)N(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C15H17N3O2/c1-19-13-7-3-11(4-8-13)18(15(16)17)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3,(H3,16,17)
InChIKeyNWSXVAYYKSFARA-UHFFFAOYSA-N
XLogP2.74
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(4-chlorophenyl)-1-phenylguanidine
CID 138104266
4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684
1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine
CID 140785268
amino-(4-methoxyphenyl)carbamic acid
CID 66864834
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylguanidine
CID 57237222
3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 82799311
3-chloro-4-[(4-methoxy-N-methylanilino)methyl]benzenecarboximidamide
CID 102667882
1-(4-methoxyphenyl)-1,2,2-trimethylhydrazine
CID 130402433
1,1-bis(4-methoxyphenyl)hydrazine;hydrochloride
CID 20517959
6-methoxynaphthalene-2-carboximidamide
CID 3274917
N,N-bis(4-methoxyphenyl)-2-oxopropanamide;ethane
CID 143471525

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-methoxyphenyl)guanidine?
The IUPAC name of 1,1-bis(4-methoxyphenyl)guanidine (CID 19761906) is 1,1-bis(4-methoxyphenyl)guanidine.
What is the SMILES notation for 1,1-bis(4-methoxyphenyl)guanidine?
The canonical SMILES for 1,1-bis(4-methoxyphenyl)guanidine is [H]/N=C(\N)N(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1,1-bis(4-methoxyphenyl)guanidine?
The InChIKey is NWSXVAYYKSFARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-19-13-7-3-11(4-8-13)18(15(16)17)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3,(H3,16,17).
What are the key properties of 1,1-bis(4-methoxyphenyl)guanidine?
1,1-bis(4-methoxyphenyl)guanidine has a molecular weight of 271.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-methoxyphenyl)guanidine is sourced from PubChem (CID 19761906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).