4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol

C15H17ClN2O2 — CID 69053107

IUPAC4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol
SMILESOc1ccc(CCNC[C@H](O)c2cncc(Cl)c2)cc1
InChIInChI=1S/C15H17ClN2O2/c16-13-7-12(8-18-9-13)15(20)10-17-6-5-11-1-3-14(19)4-2-11/h1-4,7-9,15,17,19-20H,5-6,10H2/t15-/m0/s1
InChIKeyIOTAKFJLCLHNAE-HNNXBMFYSA-N
MW292.77 g/mol
LogP2.31
Rot. Bonds6

About 4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol

4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol (PubChem CID 69053107) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol
PubChem CID69053107
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol
SMILESOc1ccc(CCNC[C@H](O)c2cncc(Cl)c2)cc1
InChIInChI=1S/C15H17ClN2O2/c16-13-7-12(8-18-9-13)15(20)10-17-6-5-11-1-3-14(19)4-2-11/h1-4,7-9,15,17,19-20H,5-6,10H2/t15-/m0/s1
InChIKeyIOTAKFJLCLHNAE-HNNXBMFYSA-N
XLogP2.31
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol with MolForge

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Related Compounds

4-[2-[[(2S)-2-(5,6-dichloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 87675015
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenol;hydrochloride
CID 67873161
4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol
CID 14368658
1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol
CID 168981686
[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69053798
1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol
CID 84660765
4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 67873607
2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 18521685
1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
CID 23322163
2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 14368692
2-(2-phenylethylamino)-1-pyridin-3-ylethanol
CID 20826867
1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane
CID 144822008

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol (CID 69053107) is 4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol is Oc1ccc(CCNC[C@H](O)c2cncc(Cl)c2)cc1.
What is the InChIKey of 4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol?
The InChIKey is IOTAKFJLCLHNAE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-13-7-12(8-18-9-13)15(20)10-17-6-5-11-1-3-14(19)4-2-11/h1-4,7-9,15,17,19-20H,5-6,10H2/t15-/m0/s1.
What are the key properties of 4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol?
4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol has a molecular weight of 292.77 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol is sourced from PubChem (CID 69053107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).