1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol

C20H27NO3 — CID 3070706

IUPAC1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol
SMILESCOc1cccc(CCc2ccccc2OCC(O)CN(C)C)c1
InChIInChI=1S/C20H27NO3/c1-21(2)14-18(22)15-24-20-10-5-4-8-17(20)12-11-16-7-6-9-19(13-16)23-3/h4-10,13,18,22H,11-12,14-15H2,1-3H3
InChIKeyVNRNJNRVACIMAP-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.78
Rot. Bonds9

About 1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol

1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol (PubChem CID 3070706) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol
PubChem CID3070706
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol
SMILESCOc1cccc(CCc2ccccc2OCC(O)CN(C)C)c1
InChIInChI=1S/C20H27NO3/c1-21(2)14-18(22)15-24-20-10-5-4-8-17(20)12-11-16-7-6-9-19(13-16)23-3/h4-10,13,18,22H,11-12,14-15H2,1-3H3
InChIKeyVNRNJNRVACIMAP-UHFFFAOYSA-N
XLogP2.78
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol (CID 3070706) is 1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol is COc1cccc(CCc2ccccc2OCC(O)CN(C)C)c1.
What is the InChIKey of 1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol?
The InChIKey is VNRNJNRVACIMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-21(2)14-18(22)15-24-20-10-5-4-8-17(20)12-11-16-7-6-9-19(13-16)23-3/h4-10,13,18,22H,11-12,14-15H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol?
1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 3070706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).