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

C14H17F2N — CID 116661300

IUPAC2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine
SMILESNC(CC1=CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H17F2N/c15-11-6-7-12(13(16)9-11)14(17)8-10-4-2-1-3-5-10/h4,6-7,9,14H,1-3,5,8,17H2
InChIKeyJJAPBYTZJXRFER-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.86
Rot. Bonds3

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

2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine (PubChem CID 116661300) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine
PubChem CID116661300
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine
SMILESNC(CC1=CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H17F2N/c15-11-6-7-12(13(16)9-11)14(17)8-10-4-2-1-3-5-10/h4,6-7,9,14H,1-3,5,8,17H2
InChIKeyJJAPBYTZJXRFER-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661880
1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol
CID 116660061
[2-(cyclohexen-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105270064
1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine
CID 105406982
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine
CID 116661260
(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171199037
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755
cyclohepten-1-yl-(2,5-difluorophenyl)methanamine
CID 106652966
(2,4-difluorophenyl)methanediamine
CID 116939170
1-(2,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 63086432
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine (CID 116661300) is 2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine is NC(CC1=CCCCC1)c1ccc(F)cc1F.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine?
The InChIKey is JJAPBYTZJXRFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c15-11-6-7-12(13(16)9-11)14(17)8-10-4-2-1-3-5-10/h4,6-7,9,14H,1-3,5,8,17H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine?
2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine has a molecular weight of 237.29 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine is sourced from PubChem (CID 116661300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).