1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine

C11H15F2NO — CID 114979665

IUPAC1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H15F2NO/c1-3-10(14-2)8-5-4-6-9(7-8)15-11(12)13/h4-7,10-11,14H,3H2,1-2H3
InChIKeySEYKBYSAHYTYOK-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.96
Rot. Bonds5

About 1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine

1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine (PubChem CID 114979665) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
PubChem CID114979665
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H15F2NO/c1-3-10(14-2)8-5-4-6-9(7-8)15-11(12)13/h4-7,10-11,14H,3H2,1-2H3
InChIKeySEYKBYSAHYTYOK-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
CID 115835552
1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine
CID 105008492
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61065024
1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064898
1-[3-(difluoromethoxy)phenyl]-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848460
1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine
CID 105039557
1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 61065406
1-[3-(difluoromethoxy)phenyl]-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018727
2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61077463
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine (CID 114979665) is 1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine is CCC(NC)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine?
The InChIKey is SEYKBYSAHYTYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-3-10(14-2)8-5-4-6-9(7-8)15-11(12)13/h4-7,10-11,14H,3H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine?
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine has a molecular weight of 215.24 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 114979665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).