1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide

C14H23ClIN3O — CID 110061971

IUPAC1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide
SMILESCC(C)(C)N/C(N)=N/CC(C)(O)c1ccccc1Cl.I
InChIInChI=1S/C14H22ClN3O.HI/c1-13(2,3)18-12(16)17-9-14(4,19)10-7-5-6-8-11(10)15;/h5-8,19H,9H2,1-4H3,(H3,16,17,18);1H
InChIKeyJANOMOITEHITKN-UHFFFAOYSA-N
MW411.72 g/mol
LogP2.87
Rot. Bonds3

About 1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide

1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide (PubChem CID 110061971) has the molecular formula C14H23ClIN3O and a molecular weight of 411.72 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide
PubChem CID110061971
Molecular FormulaC14H23ClIN3O
Molecular Weight411.72 g/mol
Exact Mass411.06
IUPAC Name1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide
SMILESCC(C)(C)N/C(N)=N/CC(C)(O)c1ccccc1Cl.I
InChIInChI=1S/C14H22ClN3O.HI/c1-13(2,3)18-12(16)17-9-14(4,19)10-7-5-6-8-11(10)15;/h5-8,19H,9H2,1-4H3,(H3,16,17,18);1H
InChIKeyJANOMOITEHITKN-UHFFFAOYSA-N
XLogP2.87
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.72
LogP ≤ 52.87
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide
CID 111100253
2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-hexylguanidine;hydroiodide
CID 110061981
2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 110061965
2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 110061966
2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 110061985
1-tert-butyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111823896
1-tert-butyl-2-[2-(2-chlorophenyl)ethyl]guanidine
CID 111044364
1-tert-butyl-2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]guanidine
CID 111823785
2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 110061969
1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
CID 62773407
4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride
CID 140625468
2-[2-(2-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111100275

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide (CID 110061971) is 1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide is CC(C)(C)N/C(N)=N/CC(C)(O)c1ccccc1Cl.I.
What is the InChIKey of 1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide?
The InChIKey is JANOMOITEHITKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O.HI/c1-13(2,3)18-12(16)17-9-14(4,19)10-7-5-6-8-11(10)15;/h5-8,19H,9H2,1-4H3,(H3,16,17,18);1H.
What are the key properties of 1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide?
1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide has a molecular weight of 411.72 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide is sourced from PubChem (CID 110061971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).