2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol

C13H22N2O — CID 115349430

IUPAC2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol
SMILESCN(C)CCCN(C)Cc1ccccc1O
InChIInChI=1S/C13H22N2O/c1-14(2)9-6-10-15(3)11-12-7-4-5-8-13(12)16/h4-5,7-8,16H,6,9-11H2,1-3H3
InChIKeyCCGSYEROEDGLOG-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.78
Rot. Bonds6

About 2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol

2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol (PubChem CID 115349430) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol
PubChem CID115349430
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol
SMILESCN(C)CCCN(C)Cc1ccccc1O
InChIInChI=1S/C13H22N2O/c1-14(2)9-6-10-15(3)11-12-7-4-5-8-13(12)16/h4-5,7-8,16H,6,9-11H2,1-3H3
InChIKeyCCGSYEROEDGLOG-UHFFFAOYSA-N
XLogP1.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol
CID 82981356
2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-fluorophenol
CID 107701908
N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115464108
N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 63725478
3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116601
2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol
CID 115624862
2-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]phenol;oxalic acid
CID 126468036
2-[2-[benzyl(methyl)amino]ethyl]phenol
CID 70480829
2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol
CID 58796990
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
bis(N,N,N'-trimethyl-N'-[(2-naphthalen-2-ylsulfanylphenyl)methyl]propane-1,3-diamine);hydrate;tetrahydrochloride
CID 172885426
N,N-bis[(2-hydroxyphenyl)methyl]acetamide
CID 88774811

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol?
The IUPAC name of 2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol (CID 115349430) is 2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol.
What is the SMILES notation for 2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol?
The canonical SMILES for 2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol is CN(C)CCCN(C)Cc1ccccc1O.
What is the InChIKey of 2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol?
The InChIKey is CCGSYEROEDGLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-14(2)9-6-10-15(3)11-12-7-4-5-8-13(12)16/h4-5,7-8,16H,6,9-11H2,1-3H3.
What are the key properties of 2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol?
2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol has a molecular weight of 222.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol is sourced from PubChem (CID 115349430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).