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

C17H27F2NO — CID 115835552

IUPAC1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H27F2NO/c1-3-4-5-6-7-8-12-16(20-2)14-10-9-11-15(13-14)21-17(18)19/h9-11,13,16-17,20H,3-8,12H2,1-2H3
InChIKeyOOISYLDWOWASDD-UHFFFAOYSA-N
MW299.40 g/mol
LogP5.30
Rot. Bonds11

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

1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine (PubChem CID 115835552) has the molecular formula C17H27F2NO and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
PubChem CID115835552
Molecular FormulaC17H27F2NO
Molecular Weight299.40 g/mol
Exact Mass299.21
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H27F2NO/c1-3-4-5-6-7-8-12-16(20-2)14-10-9-11-15(13-14)21-17(18)19/h9-11,13,16-17,20H,3-8,12H2,1-2H3
InChIKeyOOISYLDWOWASDD-UHFFFAOYSA-N
XLogP5.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.40
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
1-(3-ethoxyphenyl)-N-methyloctan-1-amine
CID 63414282
1-(3-ethoxyphenyl)-N-methylnonan-1-amine
CID 63414326
1-[3-(difluoromethoxy)phenyl]nonan-1-amine
CID 115835822
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine
CID 115832874
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine
CID 105008492
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
N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine
CID 63414431

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine (CID 115835552) is 1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine is CCCCCCCCC(NC)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine?
The InChIKey is OOISYLDWOWASDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2NO/c1-3-4-5-6-7-8-12-16(20-2)14-10-9-11-15(13-14)21-17(18)19/h9-11,13,16-17,20H,3-8,12H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine?
1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine has a molecular weight of 299.40 g/mol, XLogP of 5.30, 11 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-methylnonan-1-amine is sourced from PubChem (CID 115835552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).