1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine

C15H17N3O — CID 121451349

IUPAC1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine
SMILES[H]/N=C(\N)N(C)Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C15H17N3O/c1-18(15(16)17)11-12-7-5-6-10-14(12)19-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H3,16,17)
InChIKeyYSMRNGPUDNQPSD-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.80
Rot. Bonds4

About 1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine

1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine (PubChem CID 121451349) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine
PubChem CID121451349
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine
SMILES[H]/N=C(\N)N(C)Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C15H17N3O/c1-18(15(16)17)11-12-7-5-6-10-14(12)19-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H3,16,17)
InChIKeyYSMRNGPUDNQPSD-UHFFFAOYSA-N
XLogP2.80
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

ethane;1-methyl-1-[[2-(3-phenoxypropoxy)phenyl]methyl]guanidine
CID 145110951
1-[[5-bromo-2-(3-phenoxypropoxy)phenyl]methyl]-1-methylguanidine
CID 121451146
1-iodo-1-[[2-(3-phenoxypropoxy)phenyl]methyl]guanidine
CID 121451139
1-methyl-1-[[2-(trifluoromethylsulfanyl)phenyl]methyl]guanidine
CID 121451072
[1-amino-2-(2-phenoxyphenyl)ethylidene]azanium
CID 6347179
1-[(2-methoxyphenyl)methyl]-1-(2-phenoxyphenyl)urea
CID 18407217
1-methyl-1-(1-phenoxypropan-2-yl)guanidine
CID 139746217
[2-(phosphonooxymethyl)phenyl] 2-[carbamimidoyl(methyl)amino]acetate
CID 69406920
(E)-3-(N-ethenyl-C-methylcarbonimidoyl)-4-imino-5-(2-phenoxyphenyl)pent-2-en-2-amine
CID 144509579
1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride
CID 141469460
3-amino-N-benzyl-3-imino-N-methylpropanamide
CID 99990430
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine?
The IUPAC name of 1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine (CID 121451349) is 1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine?
The canonical SMILES for 1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine is [H]/N=C(\N)N(C)Cc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine?
The InChIKey is YSMRNGPUDNQPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18(15(16)17)11-12-7-5-6-10-14(12)19-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H3,16,17).
What are the key properties of 1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine?
1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine has a molecular weight of 255.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine is sourced from PubChem (CID 121451349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).