2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol

C19H17ClN2O — CID 123984384

IUPAC2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol
SMILESOCC(Nc1cncc(-c2cccc(Cl)c2)c1)c1ccccc1
InChIInChI=1S/C19H17ClN2O/c20-17-8-4-7-15(9-17)16-10-18(12-21-11-16)22-19(13-23)14-5-2-1-3-6-14/h1-12,19,22-23H,13H2
InChIKeyZSTXMOVMYXHGMZ-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.55
Rot. Bonds5

About 2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol

2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol (PubChem CID 123984384) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol
PubChem CID123984384
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol
SMILESOCC(Nc1cncc(-c2cccc(Cl)c2)c1)c1ccccc1
InChIInChI=1S/C19H17ClN2O/c20-17-8-4-7-15(9-17)16-10-18(12-21-11-16)22-19(13-23)14-5-2-1-3-6-14/h1-12,19,22-23H,13H2
InChIKeyZSTXMOVMYXHGMZ-UHFFFAOYSA-N
XLogP4.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol
CID 123630878
2-[[5-(1,3-benzodioxol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 90220993
2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol
CID 123610587
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 118378577
2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 90220836
2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol
CID 103721804
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345
2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol
CID 11163875
2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
CID 55159998
2-[[5-(3-chloro-4-fluorophenyl)-3-pyridinyl]amino]-2-phenylacetamide
CID 73330922
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol?
The IUPAC name of 2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol (CID 123984384) is 2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol is OCC(Nc1cncc(-c2cccc(Cl)c2)c1)c1ccccc1.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol?
The InChIKey is ZSTXMOVMYXHGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-17-8-4-7-15(9-17)16-10-18(12-21-11-16)22-19(13-23)14-5-2-1-3-6-14/h1-12,19,22-23H,13H2.
What are the key properties of 2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol?
2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol has a molecular weight of 324.81 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol is sourced from PubChem (CID 123984384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).