2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine

C14H19ClFN3O — CID 122082261

IUPAC2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine
SMILESN/C(=N\CC(O)c1cc(F)cc(Cl)c1)NC1CCCC1
InChIInChI=1S/C14H19ClFN3O/c15-10-5-9(6-11(16)7-10)13(20)8-18-14(17)19-12-3-1-2-4-12/h5-7,12-13,20H,1-4,8H2,(H3,17,18,19)
InChIKeySLYWNORMAADWOO-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.36
Rot. Bonds4

About 2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine

2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine (PubChem CID 122082261) has the molecular formula C14H19ClFN3O and a molecular weight of 299.78 g/mol. Its IUPAC name is 2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine.

Molecular Properties

Compound Name2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine
PubChem CID122082261
Molecular FormulaC14H19ClFN3O
Molecular Weight299.78 g/mol
Exact Mass299.12
IUPAC Name2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine
SMILESN/C(=N\CC(O)c1cc(F)cc(Cl)c1)NC1CCCC1
InChIInChI=1S/C14H19ClFN3O/c15-10-5-9(6-11(16)7-10)13(20)8-18-14(17)19-12-3-1-2-4-12/h5-7,12-13,20H,1-4,8H2,(H3,17,18,19)
InChIKeySLYWNORMAADWOO-UHFFFAOYSA-N
XLogP2.36
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.36
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-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide
CID 114454640
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine
CID 111801100
1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
CID 62615976
1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine
CID 111807518
1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine
CID 111058374
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
3-chloro-N-cyclopentyl-5-fluoroaniline
CID 115743691
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclohexylguanidine;hydroiodide
CID 111087032
2-[(4-chloro-2-iodophenyl)methyl]-1-cyclobutylguanidine
CID 122095651
1-(3-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 114454051
1-(3-chloro-5-fluorophenyl)-3-methylbutan-1-ol
CID 114454018
1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine
CID 122096278

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine?
The IUPAC name of 2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine (CID 122082261) is 2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine.
What is the SMILES notation for 2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine?
The canonical SMILES for 2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine is N/C(=N\CC(O)c1cc(F)cc(Cl)c1)NC1CCCC1.
What is the InChIKey of 2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine?
The InChIKey is SLYWNORMAADWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O/c15-10-5-9(6-11(16)7-10)13(20)8-18-14(17)19-12-3-1-2-4-12/h5-7,12-13,20H,1-4,8H2,(H3,17,18,19).
What are the key properties of 2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine?
2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine has a molecular weight of 299.78 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine is sourced from PubChem (CID 122082261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).