1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol

C27H33NO5 — CID 4852482

IUPAC1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol
SMILESCOc1ccc(CN(C)CC(O)COC(c2ccccc2)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C27H33NO5/c1-28(17-22-15-16-24(30-2)27(32-4)26(22)31-3)18-23(29)19-33-25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,23,25,29H,17-19H2,1-4H3
InChIKeyPHDGPLDNPCUCGA-UHFFFAOYSA-N
MW451.56 g/mol
LogP4.31
Rot. Bonds12

About 1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol

1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol (PubChem CID 4852482) has the molecular formula C27H33NO5 and a molecular weight of 451.56 g/mol. Its IUPAC name is 1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol
PubChem CID4852482
Molecular FormulaC27H33NO5
Molecular Weight451.56 g/mol
Exact Mass451.24
IUPAC Name1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol
SMILESCOc1ccc(CN(C)CC(O)COC(c2ccccc2)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C27H33NO5/c1-28(17-22-15-16-24(30-2)27(32-4)26(22)31-3)18-23(29)19-33-25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,23,25,29H,17-19H2,1-4H3
InChIKeyPHDGPLDNPCUCGA-UHFFFAOYSA-N
XLogP4.31
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol?
The IUPAC name of 1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol (CID 4852482) is 1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol is COc1ccc(CN(C)CC(O)COC(c2ccccc2)c2ccccc2)c(OC)c1OC.
What is the InChIKey of 1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol?
The InChIKey is PHDGPLDNPCUCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO5/c1-28(17-22-15-16-24(30-2)27(32-4)26(22)31-3)18-23(29)19-33-25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,23,25,29H,17-19H2,1-4H3.
What are the key properties of 1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol?
1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol has a molecular weight of 451.56 g/mol, XLogP of 4.31, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryloxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 4852482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).