1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine

C16H25F2NO — CID 115837596

IUPAC1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1ccccc1OC(F)F
InChIInChI=1S/C16H25F2NO/c1-3-5-6-10-14(19-12-4-2)13-9-7-8-11-15(13)20-16(17)18/h7-9,11,14,16,19H,3-6,10,12H2,1-2H3
InChIKeyNQHJLFLULKLRCA-UHFFFAOYSA-N
MW285.38 g/mol
LogP4.91
Rot. Bonds10

About 1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine

1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine (PubChem CID 115837596) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine
PubChem CID115837596
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1ccccc1OC(F)F
InChIInChI=1S/C16H25F2NO/c1-3-5-6-10-14(19-12-4-2)13-9-7-8-11-15(13)20-16(17)18/h7-9,11,14,16,19H,3-6,10,12H2,1-2H3
InChIKeyNQHJLFLULKLRCA-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine
CID 115837696
1-[2-(difluoromethoxy)phenyl]hexylhydrazine
CID 105294561
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
1-[2-(difluoromethoxy)phenyl]-N-propylbut-3-yn-1-amine
CID 114977832
1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine
CID 105035328
N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine
CID 80604477
N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115847444
1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine
CID 65091772
1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine
CID 104660428
1-(2-iodophenyl)-N-propylheptan-1-amine
CID 115833162
N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015291
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine (CID 115837596) is 1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine is CCCCCC(NCCC)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine?
The InChIKey is NQHJLFLULKLRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-3-5-6-10-14(19-12-4-2)13-9-7-8-11-15(13)20-16(17)18/h7-9,11,14,16,19H,3-6,10,12H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine?
1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine is sourced from PubChem (CID 115837596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).