2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine

C16H19N3O — CID 110917179

IUPAC2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine
SMILESC/N=C(\N)NCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C16H19N3O/c1-18-16(17)19-11-12-20-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H3,17,18,19)
InChIKeyDCGFTGJHKKJFJV-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.27
Rot. Bonds5

About 2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine

2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine (PubChem CID 110917179) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine
PubChem CID110917179
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine
SMILESC/N=C(\N)NCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C16H19N3O/c1-18-16(17)19-11-12-20-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H3,17,18,19)
InChIKeyDCGFTGJHKKJFJV-UHFFFAOYSA-N
XLogP2.27
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(2-phenylphenoxy)ethyl]guanidine
CID 111084989
1-(3-ethoxypropyl)-2-methyl-3-[2-(2-phenylphenoxy)ethyl]guanidine
CID 111221827
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide
CID 111084988
2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide
CID 111961612
2-(3-morpholin-4-ylpropyl)-1-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide
CID 111084976
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[2-(2-phenylphenoxy)ethyl]guanidine
CID 111523415
N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 6460057
2-methoxy-N-[2-(2-phenylphenoxy)ethyl]ethanamine
CID 2299314
N-methyl-3-(2-phenylphenoxy)propan-1-amine;oxalic acid
CID 2949209
9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987690
(2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide
CID 120626268
1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea
CID 111337309

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine?
The IUPAC name of 2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine (CID 110917179) is 2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine?
The canonical SMILES for 2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine is C/N=C(\N)NCCOc1ccccc1-c1ccccc1.
What is the InChIKey of 2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine?
The InChIKey is DCGFTGJHKKJFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-18-16(17)19-11-12-20-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H3,17,18,19).
What are the key properties of 2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine?
2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine has a molecular weight of 269.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine is sourced from PubChem (CID 110917179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).