[(5-chloro-2-fluorophenyl)methyl-methylamino]methanol

C9H11ClFNO — CID 115229181

IUPAC[(5-chloro-2-fluorophenyl)methyl-methylamino]methanol
SMILESCN(CO)Cc1cc(Cl)ccc1F
InChIInChI=1S/C9H11ClFNO/c1-12(6-13)5-7-4-8(10)2-3-9(7)11/h2-4,13H,5-6H2,1H3
InChIKeyZFWJBYDISPTKOY-UHFFFAOYSA-N
MW203.64 g/mol
LogP1.86
Rot. Bonds3

About [(5-chloro-2-fluorophenyl)methyl-methylamino]methanol

[(5-chloro-2-fluorophenyl)methyl-methylamino]methanol (PubChem CID 115229181) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is [(5-chloro-2-fluorophenyl)methyl-methylamino]methanol.

Molecular Properties

Compound Name[(5-chloro-2-fluorophenyl)methyl-methylamino]methanol
PubChem CID115229181
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name[(5-chloro-2-fluorophenyl)methyl-methylamino]methanol
SMILESCN(CO)Cc1cc(Cl)ccc1F
InChIInChI=1S/C9H11ClFNO/c1-12(6-13)5-7-4-8(10)2-3-9(7)11/h2-4,13H,5-6H2,1H3
InChIKeyZFWJBYDISPTKOY-UHFFFAOYSA-N
XLogP1.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 51.86
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

[(2,4-difluorophenyl)methyl-methylamino]methanol
CID 115229150
3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119872
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 107205019
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
4-[[(5-chloro-2-fluorophenyl)methyl-methylamino]methyl]benzoic acid
CID 114866855
(5-chloro-2-fluorophenyl)methyl-methylcyanamide
CID 117043375
2-[carboxymethyl-[(5-chloro-2-fluorophenyl)methyl]amino]acetic acid
CID 114866921
1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine
CID 115207693
1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 62037111
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650
N-[(5-chloro-2-fluorophenyl)methyl]-1-cyano-N-methylformamide
CID 115172372
2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid
CID 82484267

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-2-fluorophenyl)methyl-methylamino]methanol?
The IUPAC name of [(5-chloro-2-fluorophenyl)methyl-methylamino]methanol (CID 115229181) is [(5-chloro-2-fluorophenyl)methyl-methylamino]methanol.
What is the SMILES notation for [(5-chloro-2-fluorophenyl)methyl-methylamino]methanol?
The canonical SMILES for [(5-chloro-2-fluorophenyl)methyl-methylamino]methanol is CN(CO)Cc1cc(Cl)ccc1F.
What is the InChIKey of [(5-chloro-2-fluorophenyl)methyl-methylamino]methanol?
The InChIKey is ZFWJBYDISPTKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-12(6-13)5-7-4-8(10)2-3-9(7)11/h2-4,13H,5-6H2,1H3.
What are the key properties of [(5-chloro-2-fluorophenyl)methyl-methylamino]methanol?
[(5-chloro-2-fluorophenyl)methyl-methylamino]methanol has a molecular weight of 203.64 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-2-fluorophenyl)methyl-methylamino]methanol is sourced from PubChem (CID 115229181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).