3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol

C13H21NO2 — CID 171857789

IUPAC3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol
SMILESCCCc1ccc(C(O)C(O)CNC)cc1
InChIInChI=1S/C13H21NO2/c1-3-4-10-5-7-11(8-6-10)13(16)12(15)9-14-2/h5-8,12-16H,3-4,9H2,1-2H3
InChIKeyMYYURBRCDFTAIB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.25
Rot. Bonds6

About 3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol

3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol (PubChem CID 171857789) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol
PubChem CID171857789
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol
SMILESCCCc1ccc(C(O)C(O)CNC)cc1
InChIInChI=1S/C13H21NO2/c1-3-4-10-5-7-11(8-6-10)13(16)12(15)9-14-2/h5-8,12-16H,3-4,9H2,1-2H3
InChIKeyMYYURBRCDFTAIB-UHFFFAOYSA-N
XLogP1.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870
3-(methylamino)-1-(4-sulfanylphenyl)propane-1,2-diol
CID 171857392
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
1-(4-propylphenyl)-4-sulfanylbutane-1,2-diol
CID 171873926
1-[4-(diethoxymethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171859140
3-(methylamino)-1-(4-propylphenyl)propan-1-ol
CID 112509803
2-(propylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316044
3-(methylamino)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propane-1,2-diol
CID 171858536
1-(4-butylphenyl)-3-chloropropane-1,2-diol
CID 171862284
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705
3-amino-1-(4-butylphenyl)propane-1,2-diol
CID 170828276
2-methoxy-1-(4-propylphenyl)butan-1-ol
CID 116710776

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol?
The IUPAC name of 3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol (CID 171857789) is 3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol.
What is the SMILES notation for 3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol?
The canonical SMILES for 3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol is CCCc1ccc(C(O)C(O)CNC)cc1.
What is the InChIKey of 3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol?
The InChIKey is MYYURBRCDFTAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-4-10-5-7-11(8-6-10)13(16)12(15)9-14-2/h5-8,12-16H,3-4,9H2,1-2H3.
What are the key properties of 3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol?
3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol has a molecular weight of 223.32 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol is sourced from PubChem (CID 171857789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).