1-(3-methoxyphenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol

C23H25NO3 — CID 23647931

IUPAC1-(3-methoxyphenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol
SMILESCOc1cccc(C(O)CNCc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C23H25NO3/c1-26-21-12-7-11-19(14-21)22(25)16-24-15-20-10-5-6-13-23(20)27-17-18-8-3-2-4-9-18/h2-14,22,24-25H,15-17H2,1H3
InChIKeyPFCWNRPMXJHXDS-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.10
Rot. Bonds9

About 1-(3-methoxyphenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol

1-(3-methoxyphenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol (PubChem CID 23647931) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol
PubChem CID23647931
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name1-(3-methoxyphenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol
SMILESCOc1cccc(C(O)CNCc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C23H25NO3/c1-26-21-12-7-11-19(14-21)22(25)16-24-15-20-10-5-6-13-23(20)27-17-18-8-3-2-4-9-18/h2-14,22,24-25H,15-17H2,1H3
InChIKeyPFCWNRPMXJHXDS-UHFFFAOYSA-N
XLogP4.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol (CID 23647931) is 1-(3-methoxyphenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol is COc1cccc(C(O)CNCc2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
The InChIKey is PFCWNRPMXJHXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-26-21-12-7-11-19(14-21)22(25)16-24-15-20-10-5-6-13-23(20)27-17-18-8-3-2-4-9-18/h2-14,22,24-25H,15-17H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
1-(3-methoxyphenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol has a molecular weight of 363.46 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 23647931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).