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

C16H23BrFN — CID 105020430

IUPAC1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1cccc(F)c1Br)CC1CCCC1
InChIInChI=1S/C16H23BrFN/c1-2-19-14(10-12-6-3-4-7-12)11-13-8-5-9-15(18)16(13)17/h5,8-9,12,14,19H,2-4,6-7,10-11H2,1H3
InChIKeyTYXKMOTYUUYHJF-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.69
Rot. Bonds6

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

1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine (PubChem CID 105020430) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
PubChem CID105020430
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC Name1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1cccc(F)c1Br)CC1CCCC1
InChIInChI=1S/C16H23BrFN/c1-2-19-14(10-12-6-3-4-7-12)11-13-8-5-9-15(18)16(13)17/h5,8-9,12,14,19H,2-4,6-7,10-11H2,1H3
InChIKeyTYXKMOTYUUYHJF-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105020439
1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169265
1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172
1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115839556
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-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63415363
[2-(2-bromo-3-fluorophenyl)-1-cyclooctylethyl]hydrazine
CID 105255038
1-cyclobutyl-3-(2,3-dichlorophenyl)-N-ethylpropan-2-amine
CID 107311774
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63420165

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine (CID 105020430) is 1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine is CCNC(Cc1cccc(F)c1Br)CC1CCCC1.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine?
The InChIKey is TYXKMOTYUUYHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-2-19-14(10-12-6-3-4-7-12)11-13-8-5-9-15(18)16(13)17/h5,8-9,12,14,19H,2-4,6-7,10-11H2,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine?
1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine has a molecular weight of 328.27 g/mol, XLogP of 4.69, 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-cyclopentyl-N-ethylpropan-2-amine is sourced from PubChem (CID 105020430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).