1-(3-chlorophenyl)-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanol

C24H26ClNO2 — CID 18628023

IUPAC1-(3-chlorophenyl)-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanol
SMILESCC(Cc1ccc(OCc2ccccc2)cc1)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C24H26ClNO2/c1-18(26-16-24(27)21-8-5-9-22(25)15-21)14-19-10-12-23(13-11-19)28-17-20-6-3-2-4-7-20/h2-13,15,18,24,26-27H,14,16-17H2,1H3
InChIKeyDZDNPHIGBGITLH-UHFFFAOYSA-N
MW395.93 g/mol
LogP5.17
Rot. Bonds9

About 1-(3-chlorophenyl)-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanol

1-(3-chlorophenyl)-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanol (PubChem CID 18628023) has the molecular formula C24H26ClNO2 and a molecular weight of 395.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanol
PubChem CID18628023
Molecular FormulaC24H26ClNO2
Molecular Weight395.93 g/mol
Exact Mass395.17
IUPAC Name1-(3-chlorophenyl)-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanol
SMILESCC(Cc1ccc(OCc2ccccc2)cc1)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C24H26ClNO2/c1-18(26-16-24(27)21-8-5-9-22(25)15-21)14-19-10-12-23(13-11-19)28-17-20-6-3-2-4-7-20/h2-13,15,18,24,26-27H,14,16-17H2,1H3
InChIKeyDZDNPHIGBGITLH-UHFFFAOYSA-N
XLogP5.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanol (CID 18628023) is 1-(3-chlorophenyl)-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanol is CC(Cc1ccc(OCc2ccccc2)cc1)NCC(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanol?
The InChIKey is DZDNPHIGBGITLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO2/c1-18(26-16-24(27)21-8-5-9-22(25)15-21)14-19-10-12-23(13-11-19)28-17-20-6-3-2-4-7-20/h2-13,15,18,24,26-27H,14,16-17H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanol?
1-(3-chlorophenyl)-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanol has a molecular weight of 395.93 g/mol, XLogP of 5.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanol is sourced from PubChem (CID 18628023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).