1-(3-chlorophenyl)-2-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-ylamino]ethanol

C23H25ClN2O2 — CID 19874569

IUPAC1-(3-chlorophenyl)-2-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-ylamino]ethanol
SMILESCC(Cc1ccc(OCc2cccnc2)cc1)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C23H25ClN2O2/c1-17(26-15-23(27)20-5-2-6-21(24)13-20)12-18-7-9-22(10-8-18)28-16-19-4-3-11-25-14-19/h2-11,13-14,17,23,26-27H,12,15-16H2,1H3
InChIKeyNPTLAYCQPCAKME-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.57
Rot. Bonds9

About 1-(3-chlorophenyl)-2-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-ylamino]ethanol

1-(3-chlorophenyl)-2-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-ylamino]ethanol (PubChem CID 19874569) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-ylamino]ethanol
PubChem CID19874569
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name1-(3-chlorophenyl)-2-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-ylamino]ethanol
SMILESCC(Cc1ccc(OCc2cccnc2)cc1)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C23H25ClN2O2/c1-17(26-15-23(27)20-5-2-6-21(24)13-20)12-18-7-9-22(10-8-18)28-16-19-4-3-11-25-14-19/h2-11,13-14,17,23,26-27H,12,15-16H2,1H3
InChIKeyNPTLAYCQPCAKME-UHFFFAOYSA-N
XLogP4.57
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-ylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-ylamino]ethanol (CID 19874569) is 1-(3-chlorophenyl)-2-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-ylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-ylamino]ethanol is CC(Cc1ccc(OCc2cccnc2)cc1)NCC(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-ylamino]ethanol?
The InChIKey is NPTLAYCQPCAKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c1-17(26-15-23(27)20-5-2-6-21(24)13-20)12-18-7-9-22(10-8-18)28-16-19-4-3-11-25-14-19/h2-11,13-14,17,23,26-27H,12,15-16H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-ylamino]ethanol?
1-(3-chlorophenyl)-2-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-ylamino]ethanol has a molecular weight of 396.92 g/mol, XLogP of 4.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-ylamino]ethanol is sourced from PubChem (CID 19874569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).