2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine

C19H25N3O3 — CID 111801150

IUPAC2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/CC(O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C19H25N3O3/c1-4-13-5-7-15(8-6-13)22-19(20)21-12-18(23)14-9-16(24-2)11-17(10-14)25-3/h5-11,18,23H,4,12H2,1-3H3,(H3,20,21,22)
InChIKeyIIBQRGIEMFKQMJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.73
Rot. Bonds7

About 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine

2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine (PubChem CID 111801150) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine
PubChem CID111801150
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/CC(O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C19H25N3O3/c1-4-13-5-7-15(8-6-13)22-19(20)21-12-18(23)14-9-16(24-2)11-17(10-14)25-3/h5-11,18,23H,4,12H2,1-3H3,(H3,20,21,22)
InChIKeyIIBQRGIEMFKQMJ-UHFFFAOYSA-N
XLogP2.73
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-ethylphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine
CID 111058064
1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111058063
2-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111067384
2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111067508
2-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111091128
2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine
CID 136922434
1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine
CID 111803076
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111803089
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylguanidine
CID 110913378
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111058399
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine
CID 111803114

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine?
The IUPAC name of 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine (CID 111801150) is 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine.
What is the SMILES notation for 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine?
The canonical SMILES for 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine is CCc1ccc(N/C(N)=N/CC(O)c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine?
The InChIKey is IIBQRGIEMFKQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-13-5-7-15(8-6-13)22-19(20)21-12-18(23)14-9-16(24-2)11-17(10-14)25-3/h5-11,18,23H,4,12H2,1-3H3,(H3,20,21,22).
What are the key properties of 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine?
2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine has a molecular weight of 343.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine is sourced from PubChem (CID 111801150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).