2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]guanidine

C10H14ClN3O — CID 59852134

IUPAC2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]guanidine
SMILESNC(N)=NC(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClN3O/c11-8-3-1-7(2-4-8)5-9(6-15)14-10(12)13/h1-4,9,15H,5-6H2,(H4,12,13,14)
InChIKeyIIEYAEKWUJUIDX-UHFFFAOYSA-N
MW227.70 g/mol
LogP0.52
Rot. Bonds4

About 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]guanidine

2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]guanidine (PubChem CID 59852134) has the molecular formula C10H14ClN3O and a molecular weight of 227.70 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]guanidine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]guanidine
PubChem CID59852134
Molecular FormulaC10H14ClN3O
Molecular Weight227.70 g/mol
Exact Mass227.08
IUPAC Name2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]guanidine
SMILESNC(N)=NC(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClN3O/c11-8-3-1-7(2-4-8)5-9(6-15)14-10(12)13/h1-4,9,15H,5-6H2,(H4,12,13,14)
InChIKeyIIEYAEKWUJUIDX-UHFFFAOYSA-N
XLogP0.52
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 50.52
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]guanidine?
The IUPAC name of 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]guanidine (CID 59852134) is 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]guanidine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]guanidine?
The canonical SMILES for 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]guanidine is NC(N)=NC(CO)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]guanidine?
The InChIKey is IIEYAEKWUJUIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-8-3-1-7(2-4-8)5-9(6-15)14-10(12)13/h1-4,9,15H,5-6H2,(H4,12,13,14).
What are the key properties of 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]guanidine?
2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]guanidine has a molecular weight of 227.70 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]guanidine is sourced from PubChem (CID 59852134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).