1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine

C19H25N3O — CID 111342533

IUPAC1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine
SMILESCCN/C(=N\Cc1ccc(O)cc1)NCC(C)c1ccccc1
InChIInChI=1S/C19H25N3O/c1-3-20-19(22-14-16-9-11-18(23)12-10-16)21-13-15(2)17-7-5-4-6-8-17/h4-12,15,23H,3,13-14H2,1-2H3,(H2,20,21,22)
InChIKeyFAGDOQUOAOCVPS-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.25
Rot. Bonds6

About 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine

1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine (PubChem CID 111342533) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine
PubChem CID111342533
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine
SMILESCCN/C(=N\Cc1ccc(O)cc1)NCC(C)c1ccccc1
InChIInChI=1S/C19H25N3O/c1-3-20-19(22-14-16-9-11-18(23)12-10-16)21-13-15(2)17-7-5-4-6-8-17/h4-12,15,23H,3,13-14H2,1-2H3,(H2,20,21,22)
InChIKeyFAGDOQUOAOCVPS-UHFFFAOYSA-N
XLogP3.25
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.25
H-Bond Donors ≤ 53
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

2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-(2-phenylpropyl)guanidine
CID 111342357
N-[4-[[[ethylamino-(2-phenylpropylamino)methylidene]amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 111342708
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-thiophen-2-ylpropyl)guanidine
CID 111983589
2-benzyl-1-ethyl-3-[(4-hydroxyphenyl)methyl]guanidine
CID 110953698
1-ethyl-3-(2-phenylpropyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111343239
1-ethyl-3-(2-ethylbutyl)-2-[(4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111987536
2-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111343426
N-[3-[[[ethylamino-(2-phenylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111342614
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-3-(2-phenylpropyl)guanidine
CID 111342213
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111124392
1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine
CID 111788533
1-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylpropyl)guanidine
CID 111342461

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine (CID 111342533) is 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine is CCN/C(=N\Cc1ccc(O)cc1)NCC(C)c1ccccc1.
What is the InChIKey of 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine?
The InChIKey is FAGDOQUOAOCVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-20-19(22-14-16-9-11-18(23)12-10-16)21-13-15(2)17-7-5-4-6-8-17/h4-12,15,23H,3,13-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine?
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine has a molecular weight of 311.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine is sourced from PubChem (CID 111342533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).