1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine

C17H25BrFN — CID 105020439

IUPAC1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1cccc(F)c1Br)CC1CCCCC1
InChIInChI=1S/C17H25BrFN/c1-2-20-15(11-13-7-4-3-5-8-13)12-14-9-6-10-16(19)17(14)18/h6,9-10,13,15,20H,2-5,7-8,11-12H2,1H3
InChIKeyLDCCWTKFNHTIQK-UHFFFAOYSA-N
MW342.30 g/mol
LogP5.08
Rot. Bonds6

About 1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine

1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine (PubChem CID 105020439) has the molecular formula C17H25BrFN and a molecular weight of 342.30 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
PubChem CID105020439
Molecular FormulaC17H25BrFN
Molecular Weight342.30 g/mol
Exact Mass341.12
IUPAC Name1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1cccc(F)c1Br)CC1CCCCC1
InChIInChI=1S/C17H25BrFN/c1-2-20-15(11-13-7-4-3-5-8-13)12-14-9-6-10-16(19)17(14)18/h6,9-10,13,15,20H,2-5,7-8,11-12H2,1H3
InChIKeyLDCCWTKFNHTIQK-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.30
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 105020430
1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172
1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169265
1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115839556
1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63415363
[2-(2-bromo-3-fluorophenyl)-1-cyclooctylethyl]hydrazine
CID 105255038
1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine
CID 116660745
1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 115846974
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105172034
[1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170713
1-cyclobutyl-3-(2,3-dichlorophenyl)-N-ethylpropan-2-amine
CID 107311774
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine (CID 105020439) is 1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine is CCNC(Cc1cccc(F)c1Br)CC1CCCCC1.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine?
The InChIKey is LDCCWTKFNHTIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFN/c1-2-20-15(11-13-7-4-3-5-8-13)12-14-9-6-10-16(19)17(14)18/h6,9-10,13,15,20H,2-5,7-8,11-12H2,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine?
1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine has a molecular weight of 342.30 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine is sourced from PubChem (CID 105020439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).