[(2,4-difluorophenyl)methyl-methylamino]methanol

C9H11F2NO — CID 115229150

IUPAC[(2,4-difluorophenyl)methyl-methylamino]methanol
SMILESCN(CO)Cc1ccc(F)cc1F
InChIInChI=1S/C9H11F2NO/c1-12(6-13)5-7-2-3-8(10)4-9(7)11/h2-4,13H,5-6H2,1H3
InChIKeyMLRNTVJKRIIEJM-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.35
Rot. Bonds3

About [(2,4-difluorophenyl)methyl-methylamino]methanol

[(2,4-difluorophenyl)methyl-methylamino]methanol (PubChem CID 115229150) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is [(2,4-difluorophenyl)methyl-methylamino]methanol.

Molecular Properties

Compound Name[(2,4-difluorophenyl)methyl-methylamino]methanol
PubChem CID115229150
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name[(2,4-difluorophenyl)methyl-methylamino]methanol
SMILESCN(CO)Cc1ccc(F)cc1F
InChIInChI=1S/C9H11F2NO/c1-12(6-13)5-7-2-3-8(10)4-9(7)11/h2-4,13H,5-6H2,1H3
InChIKeyMLRNTVJKRIIEJM-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252142
3-[(2,4-difluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 62197976
[(5-chloro-2-fluorophenyl)methyl-methylamino]methanol
CID 115229181
3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119850
1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol
CID 111977227
N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79645329
2-[carboxymethyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 63645803
N-[(2,4-difluorophenyl)methyl]-N-methylformamide
CID 64990427
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
3-amino-4-[(2,4-difluorophenyl)methyl-methylamino]butanoic acid
CID 115241759
1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490420
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238

Frequently Asked Questions

What is the IUPAC name of [(2,4-difluorophenyl)methyl-methylamino]methanol?
The IUPAC name of [(2,4-difluorophenyl)methyl-methylamino]methanol (CID 115229150) is [(2,4-difluorophenyl)methyl-methylamino]methanol.
What is the SMILES notation for [(2,4-difluorophenyl)methyl-methylamino]methanol?
The canonical SMILES for [(2,4-difluorophenyl)methyl-methylamino]methanol is CN(CO)Cc1ccc(F)cc1F.
What is the InChIKey of [(2,4-difluorophenyl)methyl-methylamino]methanol?
The InChIKey is MLRNTVJKRIIEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-12(6-13)5-7-2-3-8(10)4-9(7)11/h2-4,13H,5-6H2,1H3.
What are the key properties of [(2,4-difluorophenyl)methyl-methylamino]methanol?
[(2,4-difluorophenyl)methyl-methylamino]methanol has a molecular weight of 187.19 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-difluorophenyl)methyl-methylamino]methanol is sourced from PubChem (CID 115229150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).