1-(3,5-difluorophenyl)-N-ethylheptan-4-amine

C15H23F2N — CID 105409696

IUPAC1-(3,5-difluorophenyl)-N-ethylheptan-4-amine
SMILESCCCC(CCCc1cc(F)cc(F)c1)NCC
InChIInChI=1S/C15H23F2N/c1-3-6-15(18-4-2)8-5-7-12-9-13(16)11-14(17)10-12/h9-11,15,18H,3-8H2,1-2H3
InChIKeyJAANTPPMXXRCHH-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.07
Rot. Bonds8

About 1-(3,5-difluorophenyl)-N-ethylheptan-4-amine

1-(3,5-difluorophenyl)-N-ethylheptan-4-amine (PubChem CID 105409696) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-ethylheptan-4-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-ethylheptan-4-amine
PubChem CID105409696
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name1-(3,5-difluorophenyl)-N-ethylheptan-4-amine
SMILESCCCC(CCCc1cc(F)cc(F)c1)NCC
InChIInChI=1S/C15H23F2N/c1-3-6-15(18-4-2)8-5-7-12-9-13(16)11-14(17)10-12/h9-11,15,18H,3-8H2,1-2H3
InChIKeyJAANTPPMXXRCHH-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine
CID 62604631
N-[(3,5-difluorophenyl)methyl]octan-4-amine
CID 106023055
N-[2-(3,5-difluorophenyl)ethyl]heptan-3-amine
CID 63946559
6-(3,5-difluorophenyl)hexan-3-ol
CID 105409784
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669
6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine
CID 79709529
6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine
CID 79709363
1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105412474
N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine
CID 62605156
3-(3,5-difluorophenyl)-N-propylpropan-1-amine
CID 64504664
1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine
CID 60996816
N-[2-(3,5-difluorophenyl)ethyl]heptan-2-amine
CID 62605169

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-ethylheptan-4-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-ethylheptan-4-amine (CID 105409696) is 1-(3,5-difluorophenyl)-N-ethylheptan-4-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-ethylheptan-4-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-ethylheptan-4-amine is CCCC(CCCc1cc(F)cc(F)c1)NCC.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-ethylheptan-4-amine?
The InChIKey is JAANTPPMXXRCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-3-6-15(18-4-2)8-5-7-12-9-13(16)11-14(17)10-12/h9-11,15,18H,3-8H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-ethylheptan-4-amine?
1-(3,5-difluorophenyl)-N-ethylheptan-4-amine has a molecular weight of 255.35 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-ethylheptan-4-amine is sourced from PubChem (CID 105409696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).