1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine

C17H23F2N — CID 116661880

IUPAC1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(CC1=CCCCC1)Cc1ccc(F)cc1F
InChIInChI=1S/C17H23F2N/c1-2-20-16(10-13-6-4-3-5-7-13)11-14-8-9-15(18)12-17(14)19/h6,8-9,12,16,20H,2-5,7,10-11H2,1H3
InChIKeyDKIYUBUNMKOIRO-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.38
Rot. Bonds6

About 1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine

1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine (PubChem CID 116661880) has the molecular formula C17H23F2N and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine
PubChem CID116661880
Molecular FormulaC17H23F2N
Molecular Weight279.37 g/mol
Exact Mass279.18
IUPAC Name1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(CC1=CCCCC1)Cc1ccc(F)cc1F
InChIInChI=1S/C17H23F2N/c1-2-20-16(10-13-6-4-3-5-7-13)11-14-8-9-15(18)12-17(14)19/h6,8-9,12,16,20H,2-5,7,10-11H2,1H3
InChIKeyDKIYUBUNMKOIRO-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.38
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-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661708
1-(4-bromo-2-fluorophenyl)-3-(cyclohexen-1-yl)-N-propylpropan-2-amine
CID 116661987
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 116661927
1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62196900
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 116661892
1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 116661714
2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine
CID 116661300
1-(5-chloro-2-fluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 103049107
2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine
CID 102647493
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 64559283
1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine
CID 116661870
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 62195914

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine (CID 116661880) is 1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine is CCNC(CC1=CCCCC1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine?
The InChIKey is DKIYUBUNMKOIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N/c1-2-20-16(10-13-6-4-3-5-7-13)11-14-8-9-15(18)12-17(14)19/h6,8-9,12,16,20H,2-5,7,10-11H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine?
1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine has a molecular weight of 279.37 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 116661880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).