1-[(3-methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol

C26H31NO3 — CID 4852481

IUPAC1-[(3-methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol
SMILESCOc1cccc(CN(C)CC(O)COC(c2ccccc2)c2ccccc2C)c1
InChIInChI=1S/C26H31NO3/c1-20-10-7-8-15-25(20)26(22-12-5-4-6-13-22)30-19-23(28)18-27(2)17-21-11-9-14-24(16-21)29-3/h4-16,23,26,28H,17-19H2,1-3H3
InChIKeyRDKYIQXDMXFMCP-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.60
Rot. Bonds10

About 1-[(3-methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol

1-[(3-methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol (PubChem CID 4852481) has the molecular formula C26H31NO3 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol
PubChem CID4852481
Molecular FormulaC26H31NO3
Molecular Weight405.54 g/mol
Exact Mass405.23
IUPAC Name1-[(3-methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol
SMILESCOc1cccc(CN(C)CC(O)COC(c2ccccc2)c2ccccc2C)c1
InChIInChI=1S/C26H31NO3/c1-20-10-7-8-15-25(20)26(22-12-5-4-6-13-22)30-19-23(28)18-27(2)17-21-11-9-14-24(16-21)29-3/h4-16,23,26,28H,17-19H2,1-3H3
InChIKeyRDKYIQXDMXFMCP-UHFFFAOYSA-N
XLogP4.60
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol?
The IUPAC name of 1-[(3-methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol (CID 4852481) is 1-[(3-methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol is COc1cccc(CN(C)CC(O)COC(c2ccccc2)c2ccccc2C)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol?
The InChIKey is RDKYIQXDMXFMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO3/c1-20-10-7-8-15-25(20)26(22-12-5-4-6-13-22)30-19-23(28)18-27(2)17-21-11-9-14-24(16-21)29-3/h4-16,23,26,28H,17-19H2,1-3H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol?
1-[(3-methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol has a molecular weight of 405.54 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl-methylamino]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol is sourced from PubChem (CID 4852481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).