2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine

C15H22ClN3O — CID 111801100

IUPAC2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine
SMILESN/C(=N\CC(O)c1ccccc1Cl)NC1CCCCC1
InChIInChI=1S/C15H22ClN3O/c16-13-9-5-4-8-12(13)14(20)10-18-15(17)19-11-6-2-1-3-7-11/h4-5,8-9,11,14,20H,1-3,6-7,10H2,(H3,17,18,19)
InChIKeySPWLPWIIIDHCKN-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.61
Rot. Bonds4

About 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine

2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine (PubChem CID 111801100) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine
PubChem CID111801100
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine
SMILESN/C(=N\CC(O)c1ccccc1Cl)NC1CCCCC1
InChIInChI=1S/C15H22ClN3O/c16-13-9-5-4-8-12(13)14(20)10-18-15(17)19-11-6-2-1-3-7-11/h4-5,8-9,11,14,20H,1-3,6-7,10H2,(H3,17,18,19)
InChIKeySPWLPWIIIDHCKN-UHFFFAOYSA-N
XLogP2.61
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.61
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

ethyl 4-[[N'-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111801062
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111801107
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine
CID 111456543
1-cyclohexyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine
CID 111058374
2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine
CID 111806872
2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine
CID 122082261
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine
CID 111676760
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine
CID 111801086
2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
CID 62364373
2-[2-(3-chlorophenoxy)ethyl]-1-cyclohexylguanidine
CID 111071423
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine?
The IUPAC name of 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine (CID 111801100) is 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine?
The canonical SMILES for 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine is N/C(=N\CC(O)c1ccccc1Cl)NC1CCCCC1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine?
The InChIKey is SPWLPWIIIDHCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c16-13-9-5-4-8-12(13)14(20)10-18-15(17)19-11-6-2-1-3-7-11/h4-5,8-9,11,14,20H,1-3,6-7,10H2,(H3,17,18,19).
What are the key properties of 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine?
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine has a molecular weight of 295.81 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine is sourced from PubChem (CID 111801100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).