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

C15H23F2NO — CID 115832874

IUPAC1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H23F2NO/c1-3-5-9-14(18-10-4-2)12-7-6-8-13(11-12)19-15(16)17/h6-8,11,14-15,18H,3-5,9-10H2,1-2H3
InChIKeyRVYCSSIVKLCZNV-UHFFFAOYSA-N
MW271.35 g/mol
LogP4.52
Rot. Bonds9

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

1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine (PubChem CID 115832874) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine
PubChem CID115832874
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H23F2NO/c1-3-5-9-14(18-10-4-2)12-7-6-8-13(11-12)19-15(16)17/h6-8,11,14-15,18H,3-5,9-10H2,1-2H3
InChIKeyRVYCSSIVKLCZNV-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine
CID 105008491
N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine
CID 105013280
1-[3-(difluoromethoxy)phenyl]-N-propylbut-3-en-1-amine
CID 115814659
1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
CID 115835552
1-(difluoromethoxy)-3-octan-4-ylbenzene
CID 143471729
1-(3-ethoxyphenyl)-N-propylheptan-1-amine
CID 63414677
N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030005
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
1-[3-(difluoromethoxy)phenyl]nonan-1-amine
CID 115835822
3-butoxy-N-[1-[3-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115704413
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine (CID 115832874) is 1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine is CCCCC(NCCC)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine?
The InChIKey is RVYCSSIVKLCZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-3-5-9-14(18-10-4-2)12-7-6-8-13(11-12)19-15(16)17/h6-8,11,14-15,18H,3-5,9-10H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine?
1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 4.52, 9 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-propylpentan-1-amine is sourced from PubChem (CID 115832874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).