[5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol

C20H27NO2 — CID 163312169

IUPAC[5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol
SMILESCCOC(C)c1ccc(-c2ccc(CN(C)C)cc2CO)cc1
InChIInChI=1S/C20H27NO2/c1-5-23-15(2)17-7-9-18(10-8-17)20-11-6-16(13-21(3)4)12-19(20)14-22/h6-12,15,22H,5,13-14H2,1-4H3
InChIKeyHILSIVTYUDOMFI-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.01
Rot. Bonds7

About [5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol

[5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol (PubChem CID 163312169) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol
PubChem CID163312169
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name[5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol
SMILESCCOC(C)c1ccc(-c2ccc(CN(C)C)cc2CO)cc1
InChIInChI=1S/C20H27NO2/c1-5-23-15(2)17-7-9-18(10-8-17)20-11-6-16(13-21(3)4)12-19(20)14-22/h6-12,15,22H,5,13-14H2,1-4H3
InChIKeyHILSIVTYUDOMFI-UHFFFAOYSA-N
XLogP4.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol?
The IUPAC name of [5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol (CID 163312169) is [5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol.
What is the SMILES notation for [5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol?
The canonical SMILES for [5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol is CCOC(C)c1ccc(-c2ccc(CN(C)C)cc2CO)cc1.
What is the InChIKey of [5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol?
The InChIKey is HILSIVTYUDOMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-5-23-15(2)17-7-9-18(10-8-17)20-11-6-16(13-21(3)4)12-19(20)14-22/h6-12,15,22H,5,13-14H2,1-4H3.
What are the key properties of [5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol?
[5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol has a molecular weight of 313.44 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol is sourced from PubChem (CID 163312169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).