N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine

C15H23F2NO2 — CID 105008491

IUPACN-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine
SMILESCCCNC(COCCC)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H23F2NO2/c1-3-8-18-14(11-19-9-4-2)12-6-5-7-13(10-12)20-15(16)17/h5-7,10,14-15,18H,3-4,8-9,11H2,1-2H3
InChIKeyIFAWNPPRCKWCNI-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.76
Rot. Bonds10

About N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine

N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine (PubChem CID 105008491) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine
PubChem CID105008491
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine
SMILESCCCNC(COCCC)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H23F2NO2/c1-3-8-18-14(11-19-9-4-2)12-6-5-7-13(10-12)20-15(16)17/h5-7,10,14-15,18H,3-4,8-9,11H2,1-2H3
InChIKeyIFAWNPPRCKWCNI-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine
CID 105008492
N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine
CID 105013280
1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine
CID 115832874
N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544166
1-[3-(difluoromethoxy)phenyl]-N-propylbut-3-en-1-amine
CID 115814659
N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine
CID 105007943
N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030005
N-[1-(3-chlorophenyl)-2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 114032690
1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590715
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 N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine (CID 105008491) is N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine is CCCNC(COCCC)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine?
The InChIKey is IFAWNPPRCKWCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-3-8-18-14(11-19-9-4-2)12-6-5-7-13(10-12)20-15(16)17/h5-7,10,14-15,18H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine?
N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine is sourced from PubChem (CID 105008491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).