2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol

C11H15ClFNO — CID 834037

IUPAC2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-11(2,7-15)14-6-8-9(12)4-3-5-10(8)13/h3-5,14-15H,6-7H2,1-2H3
InChIKeyFUUOXSYJZSEUTE-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.34
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol

2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol (PubChem CID 834037) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol
PubChem CID834037
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-11(2,7-15)14-6-8-9(12)4-3-5-10(8)13/h3-5,14-15H,6-7H2,1-2H3
InChIKeyFUUOXSYJZSEUTE-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol (CID 834037) is 2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol is CC(C)(CO)NCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol?
The InChIKey is FUUOXSYJZSEUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-11(2,7-15)14-6-8-9(12)4-3-5-10(8)13/h3-5,14-15H,6-7H2,1-2H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol?
2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol has a molecular weight of 231.70 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 834037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).