1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol

C15H17ClN2O — CID 81406911

IUPAC1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
SMILESC[C@@H](NCC(O)c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C15H17ClN2O/c1-11(14-4-2-3-9-17-14)18-10-15(19)12-5-7-13(16)8-6-12/h2-9,11,15,18-19H,10H2,1H3/t11-,15?/m1/s1
InChIKeyILSXOTAYSCQJQO-ZRKZCGFPSA-N
MW276.77 g/mol
LogP3.12
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol

1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol (PubChem CID 81406911) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
PubChem CID81406911
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
SMILESC[C@@H](NCC(O)c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C15H17ClN2O/c1-11(14-4-2-3-9-17-14)18-10-15(19)12-5-7-13(16)8-6-12/h2-9,11,15,18-19H,10H2,1H3/t11-,15?/m1/s1
InChIKeyILSXOTAYSCQJQO-ZRKZCGFPSA-N
XLogP3.12
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol with MolForge

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Related Compounds

1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637
1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
CID 81401380
1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol
CID 110902098
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol
CID 60909735
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 110896910
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 79040070
1-(4-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]propan-1-amine
CID 81401492

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol (CID 81406911) is 1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol is C[C@@H](NCC(O)c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol?
The InChIKey is ILSXOTAYSCQJQO-ZRKZCGFPSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11(14-4-2-3-9-17-14)18-10-15(19)12-5-7-13(16)8-6-12/h2-9,11,15,18-19H,10H2,1H3/t11-,15?/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol?
1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol has a molecular weight of 276.77 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol is sourced from PubChem (CID 81406911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).