3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol

C11H18N2O2 — CID 171857694

IUPAC3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol
SMILESCNCC(O)C(O)c1cccc(NC)c1
InChIInChI=1S/C11H18N2O2/c1-12-7-10(14)11(15)8-4-3-5-9(6-8)13-2/h3-6,10-15H,7H2,1-2H3
InChIKeyUKHKVTJUXHIOKQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.34
Rot. Bonds5

About 3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol

3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol (PubChem CID 171857694) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol.

Molecular Properties

Compound Name3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol
PubChem CID171857694
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol
SMILESCNCC(O)C(O)c1cccc(NC)c1
InChIInChI=1S/C11H18N2O2/c1-12-7-10(14)11(15)8-4-3-5-9(6-8)13-2/h3-6,10-15H,7H2,1-2H3
InChIKeyUKHKVTJUXHIOKQ-UHFFFAOYSA-N
XLogP0.34
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide
CID 171858433
[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea
CID 171858335
1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol
CID 171859200
1-[3-(difluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171857797
3-(methylamino)-1-(3-nitrophenyl)propane-1,2-diol
CID 171858052
S-[3,4-dihydroxy-4-[3-(methylamino)phenyl]butyl] ethanethioate
CID 171875623
3-(methylamino)-1-[3-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 171858529
3-(methylamino)-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propane-1,2-diol
CID 171858976
1-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]cyclopropane-1-carboxylic acid
CID 171858743
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one
CID 171858964
3-(methylamino)-1-(4-sulfanylphenyl)propane-1,2-diol
CID 171857392

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol?
The IUPAC name of 3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol (CID 171857694) is 3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol.
What is the SMILES notation for 3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol?
The canonical SMILES for 3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol is CNCC(O)C(O)c1cccc(NC)c1.
What is the InChIKey of 3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol?
The InChIKey is UKHKVTJUXHIOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-12-7-10(14)11(15)8-4-3-5-9(6-8)13-2/h3-6,10-15H,7H2,1-2H3.
What are the key properties of 3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol?
3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol has a molecular weight of 210.28 g/mol, XLogP of 0.34, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol is sourced from PubChem (CID 171857694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).