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

C19H25NO2 — CID 163304853

IUPAC[5-[(dimethylamino)methyl]-2-[4-(1-methoxyethyl)phenyl]phenyl]methanol
SMILESCOC(C)c1ccc(-c2ccc(CN(C)C)cc2CO)cc1
InChIInChI=1S/C19H25NO2/c1-14(22-4)16-6-8-17(9-7-16)19-10-5-15(12-20(2)3)11-18(19)13-21/h5-11,14,21H,12-13H2,1-4H3
InChIKeyMOZYMEMYWNACKN-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.61
Rot. Bonds6

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

[5-[(dimethylamino)methyl]-2-[4-(1-methoxyethyl)phenyl]phenyl]methanol (PubChem CID 163304853) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]-2-[4-(1-methoxyethyl)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]-2-[4-(1-methoxyethyl)phenyl]phenyl]methanol
PubChem CID163304853
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name[5-[(dimethylamino)methyl]-2-[4-(1-methoxyethyl)phenyl]phenyl]methanol
SMILESCOC(C)c1ccc(-c2ccc(CN(C)C)cc2CO)cc1
InChIInChI=1S/C19H25NO2/c1-14(22-4)16-6-8-17(9-7-16)19-10-5-15(12-20(2)3)11-18(19)13-21/h5-11,14,21H,12-13H2,1-4H3
InChIKeyMOZYMEMYWNACKN-UHFFFAOYSA-N
XLogP3.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(dimethylamino)methyl]-2-[4-(1-ethoxyethyl)phenyl]phenyl]methanol
CID 163312169
[5-[(dimethylamino)methyl]-2-(4-methoxy-3,5-dimethylphenyl)phenyl]methanol
CID 163310832
4-[4-[(dimethylamino)methyl]-2-(hydroxymethyl)phenyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
CID 164688280
2-[4-(1-methoxyethyl)phenyl]acetic acid
CID 84618183
4-[2,4-bis(hydroxymethyl)phenyl]phenol
CID 70444376
[5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol
CID 166613761
4-[4-[(dimethylamino)methyl]-2-(hydroxymethyl)phenyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 162628174
1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541566
1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine
CID 110447799
2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol
CID 139983063
1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
CID 139694053
1-[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 55283672

Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]-2-[4-(1-methoxyethyl)phenyl]phenyl]methanol?
The IUPAC name of [5-[(dimethylamino)methyl]-2-[4-(1-methoxyethyl)phenyl]phenyl]methanol (CID 163304853) is [5-[(dimethylamino)methyl]-2-[4-(1-methoxyethyl)phenyl]phenyl]methanol.
What is the SMILES notation for [5-[(dimethylamino)methyl]-2-[4-(1-methoxyethyl)phenyl]phenyl]methanol?
The canonical SMILES for [5-[(dimethylamino)methyl]-2-[4-(1-methoxyethyl)phenyl]phenyl]methanol is COC(C)c1ccc(-c2ccc(CN(C)C)cc2CO)cc1.
What is the InChIKey of [5-[(dimethylamino)methyl]-2-[4-(1-methoxyethyl)phenyl]phenyl]methanol?
The InChIKey is MOZYMEMYWNACKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14(22-4)16-6-8-17(9-7-16)19-10-5-15(12-20(2)3)11-18(19)13-21/h5-11,14,21H,12-13H2,1-4H3.
What are the key properties of [5-[(dimethylamino)methyl]-2-[4-(1-methoxyethyl)phenyl]phenyl]methanol?
[5-[(dimethylamino)methyl]-2-[4-(1-methoxyethyl)phenyl]phenyl]methanol has a molecular weight of 299.41 g/mol, XLogP of 3.61, 6 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-methoxyethyl)phenyl]phenyl]methanol is sourced from PubChem (CID 163304853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).