2-[3-(2-hydroxyethyl)phenyl]guanidine

C9H13N3O — CID 18516973

IUPAC2-[3-(2-hydroxyethyl)phenyl]guanidine
SMILESNC(N)=Nc1cccc(CCO)c1
InChIInChI=1S/C9H13N3O/c10-9(11)12-8-3-1-2-7(6-8)4-5-13/h1-3,6,13H,4-5H2,(H4,10,11,12)
InChIKeyQUJJXJNCDPREGS-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.13
Rot. Bonds3

About 2-[3-(2-hydroxyethyl)phenyl]guanidine

2-[3-(2-hydroxyethyl)phenyl]guanidine (PubChem CID 18516973) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)phenyl]guanidine
PubChem CID18516973
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-[3-(2-hydroxyethyl)phenyl]guanidine
SMILESNC(N)=Nc1cccc(CCO)c1
InChIInChI=1S/C9H13N3O/c10-9(11)12-8-3-1-2-7(6-8)4-5-13/h1-3,6,13H,4-5H2,(H4,10,11,12)
InChIKeyQUJJXJNCDPREGS-UHFFFAOYSA-N
XLogP0.13
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.13
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-[3-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine
CID 90644415
2-[3-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine;hydrochloride
CID 90644414
2-[3-(2-aminoethyl)phenyl]ethanol
CID 2749894
3-(3-nitrosophenyl)propan-1-ol
CID 89053704
2-(3-iodophenyl)ethanol
CID 15169850
ethanol;2-phenylguanidine
CID 172840613
2-(3-bromophenyl)ethanol
CID 2734090
2-[3-(2-bromoethyl)phenyl]ethanol
CID 58168543
N'-aminosulfanyl-3-[[3-(diaminomethylideneamino)phenyl]methylsulfanyl]propanimidamide
CID 144769071
[3-(diaminomethylideneamino)phenyl]methyl 4-tert-butylbenzoate
CID 139724618
2-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]acetic acid
CID 168601741
bis(2-phenylguanidine);dihydrochloride
CID 160984545

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)phenyl]guanidine?
The IUPAC name of 2-[3-(2-hydroxyethyl)phenyl]guanidine (CID 18516973) is 2-[3-(2-hydroxyethyl)phenyl]guanidine.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)phenyl]guanidine?
The canonical SMILES for 2-[3-(2-hydroxyethyl)phenyl]guanidine is NC(N)=Nc1cccc(CCO)c1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)phenyl]guanidine?
The InChIKey is QUJJXJNCDPREGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9(11)12-8-3-1-2-7(6-8)4-5-13/h1-3,6,13H,4-5H2,(H4,10,11,12).
What are the key properties of 2-[3-(2-hydroxyethyl)phenyl]guanidine?
2-[3-(2-hydroxyethyl)phenyl]guanidine has a molecular weight of 179.22 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)phenyl]guanidine is sourced from PubChem (CID 18516973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).