4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol

C15H26N2O2 — CID 64809761

IUPAC4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCOc1cccc(N(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-4-9-16-13(12-18)8-10-19-15-7-5-6-14(11-15)17(2)3/h5-7,11,13,16,18H,4,8-10,12H2,1-3H3
InChIKeyHAIIWPHTEIIOIG-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.88
Rot. Bonds9

About 4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol

4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol (PubChem CID 64809761) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol
PubChem CID64809761
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCOc1cccc(N(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-4-9-16-13(12-18)8-10-19-15-7-5-6-14(11-15)17(2)3/h5-7,11,13,16,18H,4,8-10,12H2,1-3H3
InChIKeyHAIIWPHTEIIOIG-UHFFFAOYSA-N
XLogP1.88
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol
CID 64804364
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64810584
2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64809356
3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline
CID 63906270
ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate
CID 63040178
4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol
CID 107710142
4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol
CID 64900161
4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol
CID 64789732
5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile
CID 112508200
4-(4-methylsulfonylphenoxy)-2-(propylamino)butan-1-ol
CID 64807111
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 63039991
N,N-dimethyl-3-[1-(propylamino)butyl]aniline
CID 105080148

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol?
The IUPAC name of 4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol (CID 64809761) is 4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol is CCCNC(CO)CCOc1cccc(N(C)C)c1.
What is the InChIKey of 4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol?
The InChIKey is HAIIWPHTEIIOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-9-16-13(12-18)8-10-19-15-7-5-6-14(11-15)17(2)3/h5-7,11,13,16,18H,4,8-10,12H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol?
4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64809761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).