1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol

C15H26N2O3 — CID 60635246

IUPAC1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CNCCCN(C)C)cc1
InChIInChI=1S/C15H26N2O3/c1-17(2)10-4-9-16-11-13(18)12-20-15-7-5-14(19-3)6-8-15/h5-8,13,16,18H,4,9-12H2,1-3H3
InChIKeyQCWSGRASTPLSFY-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.98
Rot. Bonds10

About 1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol

1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 60635246) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID60635246
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CNCCCN(C)C)cc1
InChIInChI=1S/C15H26N2O3/c1-17(2)10-4-9-16-11-13(18)12-20-15-7-5-14(19-3)6-8-15/h5-8,13,16,18H,4,9-12H2,1-3H3
InChIKeyQCWSGRASTPLSFY-UHFFFAOYSA-N
XLogP0.98
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045815
4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
CID 64913738
1-[2-(2-hydroxyethoxy)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60633049
4-[(2S)-3-[2-(dimethylamino)ethylamino]-2-hydroxypropoxy]benzonitrile
CID 93381176
1-[bis(4-methoxyphenyl)methoxy]-3-[2-(dimethylamino)ethylamino]propan-2-ol
CID 4851497
1-[4,4-bis(4-methoxyphenyl)butylamino]-3-phenoxypropan-2-ol
CID 11604503
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
1-(4-methoxyphenoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63227399
1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585709
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide
CID 60909902
4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 106841822

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol (CID 60635246) is 1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OCC(O)CNCCCN(C)C)cc1.
What is the InChIKey of 1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is QCWSGRASTPLSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-17(2)10-4-9-16-11-13(18)12-20-15-7-5-14(19-3)6-8-15/h5-8,13,16,18H,4,9-12H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol?
1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 282.38 g/mol, XLogP of 0.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 60635246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).