1-[bis(4-methoxyphenyl)methylamino]-3-phenoxypropan-2-ol

C24H27NO4 — CID 19694520

IUPAC1-[bis(4-methoxyphenyl)methylamino]-3-phenoxypropan-2-ol
SMILESCOc1ccc(C(NCC(O)COc2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H27NO4/c1-27-21-12-8-18(9-13-21)24(19-10-14-22(28-2)15-11-19)25-16-20(26)17-29-23-6-4-3-5-7-23/h3-15,20,24-26H,16-17H2,1-2H3
InChIKeyQRFRYQBHIULOHV-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.82
Rot. Bonds10

About 1-[bis(4-methoxyphenyl)methylamino]-3-phenoxypropan-2-ol

1-[bis(4-methoxyphenyl)methylamino]-3-phenoxypropan-2-ol (PubChem CID 19694520) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 1-[bis(4-methoxyphenyl)methylamino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[bis(4-methoxyphenyl)methylamino]-3-phenoxypropan-2-ol
PubChem CID19694520
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name1-[bis(4-methoxyphenyl)methylamino]-3-phenoxypropan-2-ol
SMILESCOc1ccc(C(NCC(O)COc2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H27NO4/c1-27-21-12-8-18(9-13-21)24(19-10-14-22(28-2)15-11-19)25-16-20(26)17-29-23-6-4-3-5-7-23/h3-15,20,24-26H,16-17H2,1-2H3
InChIKeyQRFRYQBHIULOHV-UHFFFAOYSA-N
XLogP3.82
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methoxyphenyl)methylamino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[bis(4-methoxyphenyl)methylamino]-3-phenoxypropan-2-ol (CID 19694520) is 1-[bis(4-methoxyphenyl)methylamino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[bis(4-methoxyphenyl)methylamino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[bis(4-methoxyphenyl)methylamino]-3-phenoxypropan-2-ol is COc1ccc(C(NCC(O)COc2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[bis(4-methoxyphenyl)methylamino]-3-phenoxypropan-2-ol?
The InChIKey is QRFRYQBHIULOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-27-21-12-8-18(9-13-21)24(19-10-14-22(28-2)15-11-19)25-16-20(26)17-29-23-6-4-3-5-7-23/h3-15,20,24-26H,16-17H2,1-2H3.
What are the key properties of 1-[bis(4-methoxyphenyl)methylamino]-3-phenoxypropan-2-ol?
1-[bis(4-methoxyphenyl)methylamino]-3-phenoxypropan-2-ol has a molecular weight of 393.48 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-methoxyphenyl)methylamino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 19694520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).