2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide

C14H23ClIN3O — CID 110061985

IUPAC2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCC(C)(O)c1ccccc1Cl)N(C)C.I
InChIInChI=1S/C14H22ClN3O.HI/c1-14(19,11-8-6-7-9-12(11)15)10-16-13(17(2)3)18(4)5;/h6-9,19H,10H2,1-5H3;1H
InChIKeyGWBDFCWYXRDFNE-UHFFFAOYSA-N
MW411.72 g/mol
LogP2.64
Rot. Bonds3

About 2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide

2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 110061985) has the molecular formula C14H23ClIN3O and a molecular weight of 411.72 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID110061985
Molecular FormulaC14H23ClIN3O
Molecular Weight411.72 g/mol
Exact Mass411.06
IUPAC Name2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCC(C)(O)c1ccccc1Cl)N(C)C.I
InChIInChI=1S/C14H22ClN3O.HI/c1-14(19,11-8-6-7-9-12(11)15)10-16-13(17(2)3)18(4)5;/h6-9,19H,10H2,1-5H3;1H
InChIKeyGWBDFCWYXRDFNE-UHFFFAOYSA-N
XLogP2.64
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
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-hydroxypropyl]guanidine;hydroiodide
CID 110061971
(2S)-1-azido-2-(2-chlorophenyl)propan-2-ol
CID 70910200
2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-hexylguanidine;hydroiodide
CID 110061981
2-(2-chlorophenyl)-1-phenylpropan-2-ol
CID 43810130
2-(2-chlorophenyl)-4-methylpentan-2-ol
CID 43810129
2-(2-chlorophenyl)propan-2-ol
CID 12759846
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-hydroxypropyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 110061965
2-(2-chlorophenyl)-1-(2-methylphenyl)propan-2-ol
CID 54919421
2-(2-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145288
2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 110061966

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 110061985) is 2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide is CN(C)C(=NCC(C)(O)c1ccccc1Cl)N(C)C.I.
What is the InChIKey of 2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is GWBDFCWYXRDFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O.HI/c1-14(19,11-8-6-7-9-12(11)15)10-16-13(17(2)3)18(4)5;/h6-9,19H,10H2,1-5H3;1H.
What are the key properties of 2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 411.72 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 110061985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).