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

C11H18N2O2 — CID 170828083

IUPAC3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol
SMILESCN(C)c1ccccc1C(O)C(O)CN
InChIInChI=1S/C11H18N2O2/c1-13(2)9-6-4-3-5-8(9)11(15)10(14)7-12/h3-6,10-11,14-15H,7,12H2,1-2H3
InChIKeyIPLIYUNWELBIRA-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.11
Rot. Bonds4

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

3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol (PubChem CID 170828083) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol
PubChem CID170828083
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol
SMILESCN(C)c1ccccc1C(O)C(O)CN
InChIInChI=1S/C11H18N2O2/c1-13(2)9-6-4-3-5-8(9)11(15)10(14)7-12/h3-6,10-11,14-15H,7,12H2,1-2H3
InChIKeyIPLIYUNWELBIRA-UHFFFAOYSA-N
XLogP0.11
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
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3-amino-1-(2-fluoro-3-pyridinyl)propane-1,2-diol
CID 170827543
2-(dibromomethyl)-N,N-dimethylaniline
CID 56618314
3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol
CID 170828149
3-amino-1-(2,3-dichlorophenyl)propane-1,2-diol
CID 170827625
2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol
CID 117115338
2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide
CID 170828919
[1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol
CID 54753234
2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate
CID 154768821
3-amino-1-(2-methoxy-4-methylphenyl)propane-1,2-diol
CID 170827970
1-[4,4-bis[2-(dimethylamino)phenyl]-2-hydroxybut-1-enoxy]-4,4-bis[2-(dimethylamino)phenyl]but-1-en-2-ol
CID 139721068

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol?
The IUPAC name of 3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol (CID 170828083) is 3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol.
What is the SMILES notation for 3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol?
The canonical SMILES for 3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol is CN(C)c1ccccc1C(O)C(O)CN.
What is the InChIKey of 3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol?
The InChIKey is IPLIYUNWELBIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13(2)9-6-4-3-5-8(9)11(15)10(14)7-12/h3-6,10-11,14-15H,7,12H2,1-2H3.
What are the key properties of 3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol?
3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol has a molecular weight of 210.28 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol is sourced from PubChem (CID 170828083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).