1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine

C11H15F2NO — CID 43280106

IUPAC1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H15F2NO/c1-3-10(14-2)8-4-6-9(7-5-8)15-11(12)13/h4-7,10-11,14H,3H2,1-2H3
InChIKeyQPGCFABOSMURFV-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.96
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine

1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine (PubChem CID 43280106) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
PubChem CID43280106
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H15F2NO/c1-3-10(14-2)8-4-6-9(7-5-8)15-11(12)13/h4-7,10-11,14H,3H2,1-2H3
InChIKeyQPGCFABOSMURFV-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-methylpropan-1-amine
CID 114979665
1-[4-(difluoromethoxy)phenyl]-3-ethyl-N-methylheptan-1-amine
CID 115806378
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine
CID 115794124
1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484649
2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115787231
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015149
N-methyl-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106449842
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065279
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011486
N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine
CID 105007943
1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine
CID 105013922

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine (CID 43280106) is 1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine?
The InChIKey is QPGCFABOSMURFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-3-10(14-2)8-4-6-9(7-5-8)15-11(12)13/h4-7,10-11,14H,3H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine?
1-[4-(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-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 43280106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).