1-(4-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine

C11H15ClFNO — CID 82719908

IUPAC1-(4-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCC(C)(C)ONCc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H15ClFNO/c1-11(2,3)15-14-7-8-4-5-9(12)10(13)6-8/h4-6,14H,7H2,1-3H3
InChIKeyUVNJRDSLGRZCGB-UHFFFAOYSA-N
MW231.70 g/mol
LogP3.30
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine

1-(4-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine (PubChem CID 82719908) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
PubChem CID82719908
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCC(C)(C)ONCc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H15ClFNO/c1-11(2,3)15-14-7-8-4-5-9(12)10(13)6-8/h4-6,14H,7H2,1-3H3
InChIKeyUVNJRDSLGRZCGB-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine (CID 82719908) is 1-(4-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine is CC(C)(C)ONCc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The InChIKey is UVNJRDSLGRZCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-11(2,3)15-14-7-8-4-5-9(12)10(13)6-8/h4-6,14H,7H2,1-3H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
1-(4-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine has a molecular weight of 231.70 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine is sourced from PubChem (CID 82719908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).