[(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol

C9H11ClFNO — CID 115229083

IUPAC[(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol
SMILESCc1cc(Cl)c(CNCO)cc1F
InChIInChI=1S/C9H11ClFNO/c1-6-2-8(10)7(3-9(6)11)4-12-5-13/h2-3,12-13H,4-5H2,1H3
InChIKeyXXMMIYCBCPWLJI-UHFFFAOYSA-N
MW203.64 g/mol
LogP1.83
Rot. Bonds3

About [(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol

[(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol (PubChem CID 115229083) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is [(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol.

Molecular Properties

Compound Name[(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol
PubChem CID115229083
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name[(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol
SMILESCc1cc(Cl)c(CNCO)cc1F
InChIInChI=1S/C9H11ClFNO/c1-6-2-8(10)7(3-9(6)11)4-12-5-13/h2-3,12-13H,4-5H2,1H3
InChIKeyXXMMIYCBCPWLJI-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 51.83
H-Bond Donors ≤ 52
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

3-[(2-chloro-5-fluoro-4-methylphenyl)methylamino]propane-1,2-diol
CID 115122159
(2-chloro-5-fluoro-4-methylphenyl)methylhydrazine
CID 116932376
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]carbamoyl bromide
CID 115193690
1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene
CID 131118728
2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179929
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190282
3-[(2-chloro-5-fluoro-4-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163441
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide
CID 115140743
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine
CID 115118414
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 117045063
N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84771311
3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine
CID 116924706

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol?
The IUPAC name of [(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol (CID 115229083) is [(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol.
What is the SMILES notation for [(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol?
The canonical SMILES for [(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol is Cc1cc(Cl)c(CNCO)cc1F.
What is the InChIKey of [(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol?
The InChIKey is XXMMIYCBCPWLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-6-2-8(10)7(3-9(6)11)4-12-5-13/h2-3,12-13H,4-5H2,1H3.
What are the key properties of [(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol?
[(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol has a molecular weight of 203.64 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol is sourced from PubChem (CID 115229083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).