1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine

C16H24F2N2 — CID 107521390

IUPAC1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine
SMILESCCC1CCCN(CC(N)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H24F2N2/c1-2-12-4-3-8-20(9-7-12)11-16(19)14-6-5-13(17)10-15(14)18/h5-6,10,12,16H,2-4,7-9,11,19H2,1H3
InChIKeyCHVWEXJRRUFVNK-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.48
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine

1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine (PubChem CID 107521390) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine
PubChem CID107521390
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine
SMILESCCC1CCCN(CC(N)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H24F2N2/c1-2-12-4-3-8-20(9-7-12)11-16(19)14-6-5-13(17)10-15(14)18/h5-6,10,12,16H,2-4,7-9,11,19H2,1H3
InChIKeyCHVWEXJRRUFVNK-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 107520324
1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16785018
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2,4-difluorophenyl)ethanamine
CID 107520191
2-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520014
1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 107520774
1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol
CID 111122492
1-(2,4-difluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 107521734
1-(2,4-dimethoxyphenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61420654
1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 107519852
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-methylazepan-2-one
CID 107522728
N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107520835
1-(2,4-difluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 107521151

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine (CID 107521390) is 1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine is CCC1CCCN(CC(N)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine?
The InChIKey is CHVWEXJRRUFVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-2-12-4-3-8-20(9-7-12)11-16(19)14-6-5-13(17)10-15(14)18/h5-6,10,12,16H,2-4,7-9,11,19H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine?
1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine has a molecular weight of 282.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine is sourced from PubChem (CID 107521390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).