1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol

C15H17ClN2O — CID 54937792

IUPAC1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol
SMILESOC(CNCCc1ccncc1)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2O/c16-14-4-2-1-3-13(14)15(19)11-18-10-7-12-5-8-17-9-6-12/h1-6,8-9,15,18-19H,7,10-11H2
InChIKeyODUKROWMLSPNAV-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.60
Rot. Bonds6

About 1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol

1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol (PubChem CID 54937792) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol
PubChem CID54937792
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol
SMILESOC(CNCCc1ccncc1)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2O/c16-14-4-2-1-3-13(14)15(19)11-18-10-7-12-5-8-17-9-6-12/h1-6,8-9,15,18-19H,7,10-11H2
InChIKeyODUKROWMLSPNAV-UHFFFAOYSA-N
XLogP2.60
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315005
1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol
CID 79749123
1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride
CID 21406688
1-(2-chlorophenyl)-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 80682312
1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111114875
1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol
CID 113287471
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
1-(2-chlorophenyl)-2-(3-methylsulfanylbutylamino)ethanol
CID 113493949
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428
1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 60909806
2-chloro-N-(2-pyridin-4-ylethyl)aniline
CID 45156427

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol (CID 54937792) is 1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol is OC(CNCCc1ccncc1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol?
The InChIKey is ODUKROWMLSPNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-14-4-2-1-3-13(14)15(19)11-18-10-7-12-5-8-17-9-6-12/h1-6,8-9,15,18-19H,7,10-11H2.
What are the key properties of 1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol?
1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol has a molecular weight of 276.77 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol is sourced from PubChem (CID 54937792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).