2-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-ol

C20H27NO4 — CID 3294422

IUPAC2-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(C)NC(C)C(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H27NO4/c1-13(19(22)15-5-9-17(24-3)10-6-15)21-14(2)20(23)16-7-11-18(25-4)12-8-16/h5-14,19-23H,1-4H3
InChIKeySLMWVFCNXTYGHR-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.84
Rot. Bonds8

About 2-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-ol

2-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-ol (PubChem CID 3294422) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-ol
PubChem CID3294422
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name2-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(C)NC(C)C(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H27NO4/c1-13(19(22)15-5-9-17(24-3)10-6-15)21-14(2)20(23)16-7-11-18(25-4)12-8-16/h5-14,19-23H,1-4H3
InChIKeySLMWVFCNXTYGHR-UHFFFAOYSA-N
XLogP2.84
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-ol (CID 3294422) is 2-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(O)C(C)NC(C)C(O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-ol?
The InChIKey is SLMWVFCNXTYGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-13(19(22)15-5-9-17(24-3)10-6-15)21-14(2)20(23)16-7-11-18(25-4)12-8-16/h5-14,19-23H,1-4H3.
What are the key properties of 2-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-ol?
2-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-ol has a molecular weight of 345.44 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 3294422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).