2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol

C12H19ClN2O — CID 112568738

IUPAC2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol
SMILESCC(CNCc1cccc(Cl)c1O)N(C)C
InChIInChI=1S/C12H19ClN2O/c1-9(15(2)3)7-14-8-10-5-4-6-11(13)12(10)16/h4-6,9,14,16H,7-8H2,1-3H3
InChIKeyJLZVSXQWROTRRX-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.09
Rot. Bonds5

About 2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol

2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol (PubChem CID 112568738) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol
PubChem CID112568738
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol
SMILESCC(CNCc1cccc(Cl)c1O)N(C)C
InChIInChI=1S/C12H19ClN2O/c1-9(15(2)3)7-14-8-10-5-4-6-11(13)12(10)16/h4-6,9,14,16H,7-8H2,1-3H3
InChIKeyJLZVSXQWROTRRX-UHFFFAOYSA-N
XLogP2.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(2-hydroxypropylamino)methyl]phenol
CID 112553929
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
2-chloro-6-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol
CID 113352473
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
CID 112568736
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 61042939
2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103924012
2-chloro-6-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
CID 115951704
2-chloro-6-(methylaminomethyl)phenol;hydrochloride
CID 135396200
2-chloro-6-[(pent-3-ynylamino)methyl]phenol
CID 115978358
2-chloro-6-[[(2-hydroxy-2-methylbutyl)amino]methyl]phenol
CID 112554014
N-butan-2-yl-3-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide
CID 112554128
3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide
CID 112554135

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol (CID 112568738) is 2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol is CC(CNCc1cccc(Cl)c1O)N(C)C.
What is the InChIKey of 2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol?
The InChIKey is JLZVSXQWROTRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-9(15(2)3)7-14-8-10-5-4-6-11(13)12(10)16/h4-6,9,14,16H,7-8H2,1-3H3.
What are the key properties of 2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol?
2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol has a molecular weight of 242.75 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol is sourced from PubChem (CID 112568738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).