1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine

C14H19F2N — CID 104986798

IUPAC1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine
SMILESC=CCCCC(NCC)c1cccc(F)c1F
InChIInChI=1S/C14H19F2N/c1-3-5-6-10-13(17-4-2)11-8-7-9-12(15)14(11)16/h3,7-9,13,17H,1,4-6,10H2,2H3
InChIKeyCYDSIGHAAIMOSP-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.97
Rot. Bonds7

About 1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine

1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine (PubChem CID 104986798) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine
PubChem CID104986798
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine
SMILESC=CCCCC(NCC)c1cccc(F)c1F
InChIInChI=1S/C14H19F2N/c1-3-5-6-10-13(17-4-2)11-8-7-9-12(15)14(11)16/h3,7-9,13,17H,1,4-6,10H2,2H3
InChIKeyCYDSIGHAAIMOSP-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009145
1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine
CID 104987321
1-(2,6-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 79523146
1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 65128040
1-(2,5-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009101
N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine
CID 104986781
1-(2-bromo-3,4-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 107539190
1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009080
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811
1-(5-chloro-2-methylphenyl)-N-ethylhex-5-en-1-amine
CID 104987125
1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013124
N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine
CID 105028931

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine (CID 104986798) is 1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine is C=CCCCC(NCC)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine?
The InChIKey is CYDSIGHAAIMOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-3-5-6-10-13(17-4-2)11-8-7-9-12(15)14(11)16/h3,7-9,13,17H,1,4-6,10H2,2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine?
1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine is sourced from PubChem (CID 104986798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).