1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol

C17H27NO3 — CID 63712304

IUPAC1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol
SMILESCOc1ccc(C(O)C(C)N(C)CC2CCCOC2)cc1
InChIInChI=1S/C17H27NO3/c1-13(18(2)11-14-5-4-10-21-12-14)17(19)15-6-8-16(20-3)9-7-15/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3
InChIKeyPZLVGJMWVOBJKQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.48
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol

1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol (PubChem CID 63712304) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol
PubChem CID63712304
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol
SMILESCOc1ccc(C(O)C(C)N(C)CC2CCCOC2)cc1
InChIInChI=1S/C17H27NO3/c1-13(18(2)11-14-5-4-10-21-12-14)17(19)15-6-8-16(20-3)9-7-15/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3
InChIKeyPZLVGJMWVOBJKQ-UHFFFAOYSA-N
XLogP2.48
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol (CID 63712304) is 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol is COc1ccc(C(O)C(C)N(C)CC2CCCOC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol?
The InChIKey is PZLVGJMWVOBJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(18(2)11-14-5-4-10-21-12-14)17(19)15-6-8-16(20-3)9-7-15/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol?
1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 63712304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).