1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine

C14H21N3O — CID 110988488

IUPAC1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1cccc(O)c1)NC1CC1
InChIInChI=1S/C14H21N3O/c1-2-15-14(17-12-6-7-12)16-9-8-11-4-3-5-13(18)10-11/h3-5,10,12,18H,2,6-9H2,1H3,(H2,15,16,17)
InChIKeyAORKIZBQEWJOID-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.65
Rot. Bonds5

About 1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine

1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine (PubChem CID 110988488) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine
PubChem CID110988488
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1cccc(O)c1)NC1CC1
InChIInChI=1S/C14H21N3O/c1-2-15-14(17-12-6-7-12)16-9-8-11-4-3-5-13(18)10-11/h3-5,10,12,18H,2,6-9H2,1H3,(H2,15,16,17)
InChIKeyAORKIZBQEWJOID-UHFFFAOYSA-N
XLogP1.65
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.65
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

1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110989245
1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110992329
3-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111668685
3-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 75424046
3-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-methylbenzamide
CID 111979205
1-cyclopropyl-2-[2-(3,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110988493
3-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111979444
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110987226
1-ethyl-2-[2-(3-hydroxyphenyl)ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 136925675
1-cyclopropyl-3-ethyl-2-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111589170
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 110987589
N-cyclopropyl-2-[4-[N-ethyl-N'-[2-(3-hydroxyphenyl)ethyl]carbamimidoyl]piperazin-1-yl]acetamide
CID 111379026

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine (CID 110988488) is 1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine is CCN/C(=N\CCc1cccc(O)c1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine?
The InChIKey is AORKIZBQEWJOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-15-14(17-12-6-7-12)16-9-8-11-4-3-5-13(18)10-11/h3-5,10,12,18H,2,6-9H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine?
1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine has a molecular weight of 247.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine is sourced from PubChem (CID 110988488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).