4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol

C11H17ClN2O2 — CID 139241738

IUPAC4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol
SMILESOCCNCCNCc1cc(Cl)ccc1O
InChIInChI=1S/C11H17ClN2O2/c12-10-1-2-11(16)9(7-10)8-14-4-3-13-5-6-15/h1-2,7,13-16H,3-6,8H2
InChIKeyVRZCLLZLUISIBP-UHFFFAOYSA-N
MW244.72 g/mol
LogP0.72
Rot. Bonds7

About 4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol

4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol (PubChem CID 139241738) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol
PubChem CID139241738
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol
SMILESOCCNCCNCc1cc(Cl)ccc1O
InChIInChI=1S/C11H17ClN2O2/c12-10-1-2-11(16)9(7-10)8-14-4-3-13-5-6-15/h1-2,7,13-16H,3-6,8H2
InChIKeyVRZCLLZLUISIBP-UHFFFAOYSA-N
XLogP0.72
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminobutylamino)methyl]-4-chlorophenol
CID 60894703
2,4-dichlorophenol;2-(2-hydroxyethylamino)ethanol
CID 70614272
2-(butylaminomethyl)-4-chlorophenol;hydrochloride
CID 134107366
3-[(5-chloro-2-hydroxyphenyl)methylamino]propanoic acid
CID 43139894
4-chloro-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
CID 62636256
4-chloro-2-[(2-hydroxypropylamino)methyl]phenol
CID 43499358
2-[4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17054063
4-chloro-2-[(3-propan-2-yloxypropylamino)methyl]phenol
CID 28726847
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
2-[2-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol
CID 4720990
4-chloro-2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenol
CID 60981639
4-chloro-2-[(cyclohexylmethylamino)methyl]phenol
CID 25163929

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol (CID 139241738) is 4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol is OCCNCCNCc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol?
The InChIKey is VRZCLLZLUISIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c12-10-1-2-11(16)9(7-10)8-14-4-3-13-5-6-15/h1-2,7,13-16H,3-6,8H2.
What are the key properties of 4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol?
4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol has a molecular weight of 244.72 g/mol, XLogP of 0.72, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol is sourced from PubChem (CID 139241738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).