2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol

C15H26N2O2 — CID 104551290

IUPAC2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol
SMILESCCC(N)C(c1ccc(OC)cc1)N(C)C(C)CO
InChIInChI=1S/C15H26N2O2/c1-5-14(16)15(17(3)11(2)10-18)12-6-8-13(19-4)9-7-12/h6-9,11,14-15,18H,5,10,16H2,1-4H3
InChIKeyXHJYRLBUVUPVIH-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.79
Rot. Bonds7

About 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol

2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol (PubChem CID 104551290) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol
PubChem CID104551290
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol
SMILESCCC(N)C(c1ccc(OC)cc1)N(C)C(C)CO
InChIInChI=1S/C15H26N2O2/c1-5-14(16)15(17(3)11(2)10-18)12-6-8-13(19-4)9-7-12/h6-9,11,14-15,18H,5,10,16H2,1-4H3
InChIKeyXHJYRLBUVUPVIH-UHFFFAOYSA-N
XLogP1.79
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55016003
2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide
CID 55016146
2-[(2-amino-1-thiophen-3-ylbutyl)-methylamino]propan-1-ol
CID 104551255
1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55015809
2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide
CID 103101362
1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55016192
2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol
CID 116913421
2-amino-1-(4-methoxyphenyl)propane-1,3-diol
CID 66204933
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82733107
1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 55016241
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol (CID 104551290) is 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol is CCC(N)C(c1ccc(OC)cc1)N(C)C(C)CO.
What is the InChIKey of 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol?
The InChIKey is XHJYRLBUVUPVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-14(16)15(17(3)11(2)10-18)12-6-8-13(19-4)9-7-12/h6-9,11,14-15,18H,5,10,16H2,1-4H3.
What are the key properties of 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol?
2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol is sourced from PubChem (CID 104551290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).