1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine

C15H18N4O — CID 164647337

IUPAC1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine
SMILESCc1cc(OCc2ccccc2)ccc1/N=C(\N)NN
InChIInChI=1S/C15H18N4O/c1-11-9-13(7-8-14(11)18-15(16)19-17)20-10-12-5-3-2-4-6-12/h2-9H,10,17H2,1H3,(H3,16,18,19)
InChIKeyWFISCICIBNZEME-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.98
Rot. Bonds4

About 1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine

1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine (PubChem CID 164647337) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine
PubChem CID164647337
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine
SMILESCc1cc(OCc2ccccc2)ccc1/N=C(\N)NN
InChIInChI=1S/C15H18N4O/c1-11-9-13(7-8-14(11)18-15(16)19-17)20-10-12-5-3-2-4-6-12/h2-9H,10,17H2,1H3,(H3,16,18,19)
InChIKeyWFISCICIBNZEME-UHFFFAOYSA-N
XLogP1.98
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-azido-2-methyl-4-phenylmethoxybenzene
CID 151318667
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
N-methyl-1-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 82553597
N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline
CID 158131264
(2-methyl-4-phenylmethoxyphenoxy)boronic acid
CID 142688338
[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 168536428
(1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol
CID 139820128
1-ethynyl-2-methyl-4-phenylmethoxybenzene
CID 146673536
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide
CID 105351415
1,2-bis(3-phenylmethoxyphenyl)guanidine
CID 22675624

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine?
The IUPAC name of 1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine (CID 164647337) is 1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine.
What is the SMILES notation for 1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine?
The canonical SMILES for 1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine is Cc1cc(OCc2ccccc2)ccc1/N=C(\N)NN.
What is the InChIKey of 1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine?
The InChIKey is WFISCICIBNZEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-9-13(7-8-14(11)18-15(16)19-17)20-10-12-5-3-2-4-6-12/h2-9H,10,17H2,1H3,(H3,16,18,19).
What are the key properties of 1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine?
1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine has a molecular weight of 270.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine is sourced from PubChem (CID 164647337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).