4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol

C13H22N2O2 — CID 64900161

IUPAC4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol
SMILESCNC(CCO)COc1cccc(N(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-14-11(7-8-16)10-17-13-6-4-5-12(9-13)15(2)3/h4-6,9,11,14,16H,7-8,10H2,1-3H3
InChIKeyIVVJGELGLFAORH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.10
Rot. Bonds7

About 4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol

4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol (PubChem CID 64900161) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol
PubChem CID64900161
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol
SMILESCNC(CCO)COc1cccc(N(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-14-11(7-8-16)10-17-13-6-4-5-12(9-13)15(2)3/h4-6,9,11,14,16H,7-8,10H2,1-3H3
InChIKeyIVVJGELGLFAORH-UHFFFAOYSA-N
XLogP1.10
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol
CID 64897598
4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol
CID 64809761
2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64809356
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64810584
ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate
CID 63040178
3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol
CID 64806251
3-amino-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 112511325
1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol
CID 61229094
3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64809319
N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine
CID 62041686
N-methyl-1-(3-methylphenoxy)butan-2-amine
CID 62038283
N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline
CID 62485229

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol?
The IUPAC name of 4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol (CID 64900161) is 4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol.
What is the SMILES notation for 4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol?
The canonical SMILES for 4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol is CNC(CCO)COc1cccc(N(C)C)c1.
What is the InChIKey of 4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol?
The InChIKey is IVVJGELGLFAORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-14-11(7-8-16)10-17-13-6-4-5-12(9-13)15(2)3/h4-6,9,11,14,16H,7-8,10H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol?
4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol is sourced from PubChem (CID 64900161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).