1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine

C11H15F2NO — CID 83886577

IUPAC1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine
SMILESCNCc1ccc(F)c(F)c1OC(C)C
InChIInChI=1S/C11H15F2NO/c1-7(2)15-11-8(6-14-3)4-5-9(12)10(11)13/h4-5,7,14H,6H2,1-3H3
InChIKeyIJIFLOHKWUIERB-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.47
Rot. Bonds4

About 1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine

1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine (PubChem CID 83886577) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine
PubChem CID83886577
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine
SMILESCNCc1ccc(F)c(F)c1OC(C)C
InChIInChI=1S/C11H15F2NO/c1-7(2)15-11-8(6-14-3)4-5-9(12)10(11)13/h4-5,7,14H,6H2,1-3H3
InChIKeyIJIFLOHKWUIERB-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine (CID 83886577) is 1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine is CNCc1ccc(F)c(F)c1OC(C)C.
What is the InChIKey of 1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine?
The InChIKey is IJIFLOHKWUIERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(2)15-11-8(6-14-3)4-5-9(12)10(11)13/h4-5,7,14H,6H2,1-3H3.
What are the key properties of 1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine?
1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 83886577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).