4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol

C12H19FN2O — CID 107685688

IUPAC4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol
SMILESCC(CNCc1ccc(O)c(F)c1)N(C)C
InChIInChI=1S/C12H19FN2O/c1-9(15(2)3)7-14-8-10-4-5-12(16)11(13)6-10/h4-6,9,14,16H,7-8H2,1-3H3
InChIKeyYWVDZOBLRCQDSQ-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.57
Rot. Bonds5

About 4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol

4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol (PubChem CID 107685688) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol
PubChem CID107685688
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol
SMILESCC(CNCc1ccc(O)c(F)c1)N(C)C
InChIInChI=1S/C12H19FN2O/c1-9(15(2)3)7-14-8-10-4-5-12(16)11(13)6-10/h4-6,9,14,16H,7-8H2,1-3H3
InChIKeyYWVDZOBLRCQDSQ-UHFFFAOYSA-N
XLogP1.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(3-fluoro-4-methylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 63646570
4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol
CID 107685805
2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol
CID 107685808
N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide
CID 107685979
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 107685376
2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol
CID 107693926
2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol
CID 107740697
1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 103581679
1-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913044
2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 103648407
1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 61043808
1-N-[(4-tert-butylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913292

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol?
The IUPAC name of 4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol (CID 107685688) is 4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol is CC(CNCc1ccc(O)c(F)c1)N(C)C.
What is the InChIKey of 4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol?
The InChIKey is YWVDZOBLRCQDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-9(15(2)3)7-14-8-10-4-5-12(16)11(13)6-10/h4-6,9,14,16H,7-8H2,1-3H3.
What are the key properties of 4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol?
4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol has a molecular weight of 226.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol is sourced from PubChem (CID 107685688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).