[3-(dimethylamino)phenyl]-(methylamino)methanol

C10H16N2O — CID 59725197

IUPAC[3-(dimethylamino)phenyl]-(methylamino)methanol
SMILESCNC(O)c1cccc(N(C)C)c1
InChIInChI=1S/C10H16N2O/c1-11-10(13)8-5-4-6-9(7-8)12(2)3/h4-7,10-11,13H,1-3H3
InChIKeyDIYLLHAWIJDZFI-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.96
Rot. Bonds3

About [3-(dimethylamino)phenyl]-(methylamino)methanol

[3-(dimethylamino)phenyl]-(methylamino)methanol (PubChem CID 59725197) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(methylamino)methanol.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(methylamino)methanol
PubChem CID59725197
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name[3-(dimethylamino)phenyl]-(methylamino)methanol
SMILESCNC(O)c1cccc(N(C)C)c1
InChIInChI=1S/C10H16N2O/c1-11-10(13)8-5-4-6-9(7-8)12(2)3/h4-7,10-11,13H,1-3H3
InChIKeyDIYLLHAWIJDZFI-UHFFFAOYSA-N
XLogP0.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline
CID 130697779
N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline
CID 105163326
3-[hydroxy(methylamino)methyl]phenol
CID 14302211
1-[3-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol
CID 105096689
1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol
CID 105076156
3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol
CID 82605939
3-chloro-1-[3-(dimethylamino)phenyl]propane-1,2-diol
CID 171862083
3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105152827
N,N-dimethyl-3-[1-(methylamino)hexyl]aniline
CID 105129661
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
CID 53484765
1-[3-(dimethylamino)phenyl]-3-methylbut-3-en-1-ol
CID 105110020
(3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol
CID 105114451

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(methylamino)methanol?
The IUPAC name of [3-(dimethylamino)phenyl]-(methylamino)methanol (CID 59725197) is [3-(dimethylamino)phenyl]-(methylamino)methanol.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(methylamino)methanol?
The canonical SMILES for [3-(dimethylamino)phenyl]-(methylamino)methanol is CNC(O)c1cccc(N(C)C)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(methylamino)methanol?
The InChIKey is DIYLLHAWIJDZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-11-10(13)8-5-4-6-9(7-8)12(2)3/h4-7,10-11,13H,1-3H3.
What are the key properties of [3-(dimethylamino)phenyl]-(methylamino)methanol?
[3-(dimethylamino)phenyl]-(methylamino)methanol has a molecular weight of 180.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(methylamino)methanol is sourced from PubChem (CID 59725197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).