1-(2,4-difluorophenyl)-N-ethylheptan-1-amine

C15H23F2N — CID 55185685

IUPAC1-(2,4-difluorophenyl)-N-ethylheptan-1-amine
SMILESCCCCCCC(NCC)c1ccc(F)cc1F
InChIInChI=1S/C15H23F2N/c1-3-5-6-7-8-15(18-4-2)13-10-9-12(16)11-14(13)17/h9-11,15,18H,3-8H2,1-2H3
InChIKeyQBLOKYPDLAIIOC-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.59
Rot. Bonds8

About 1-(2,4-difluorophenyl)-N-ethylheptan-1-amine

1-(2,4-difluorophenyl)-N-ethylheptan-1-amine (PubChem CID 55185685) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-ethylheptan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-ethylheptan-1-amine
PubChem CID55185685
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name1-(2,4-difluorophenyl)-N-ethylheptan-1-amine
SMILESCCCCCCC(NCC)c1ccc(F)cc1F
InChIInChI=1S/C15H23F2N/c1-3-5-6-7-8-15(18-4-2)13-10-9-12(16)11-14(13)17/h9-11,15,18H,3-8H2,1-2H3
InChIKeyQBLOKYPDLAIIOC-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 63417997
N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine
CID 103302785
N-ethyl-1-(2,4,5-trifluorophenyl)heptan-1-amine
CID 103302611
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085
1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
CID 43491010
1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087248
1-(2,3-difluoro-4-methylphenyl)-N-ethyloctan-1-amine
CID 107515605
1-(4-fluoro-2-methylphenyl)-N-propyloctan-1-amine
CID 81276836
1-(4-chloro-2,5-difluorophenyl)-N-ethylhexan-1-amine
CID 115837042
1-(2,4-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105143731
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
1-(2,4-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 62801049

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-ethylheptan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-ethylheptan-1-amine (CID 55185685) is 1-(2,4-difluorophenyl)-N-ethylheptan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-ethylheptan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-ethylheptan-1-amine is CCCCCCC(NCC)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-ethylheptan-1-amine?
The InChIKey is QBLOKYPDLAIIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-3-5-6-7-8-15(18-4-2)13-10-9-12(16)11-14(13)17/h9-11,15,18H,3-8H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-ethylheptan-1-amine?
1-(2,4-difluorophenyl)-N-ethylheptan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-ethylheptan-1-amine is sourced from PubChem (CID 55185685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).