1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine

C18H27BrFN — CID 115839556

IUPAC1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1cc(Br)ccc1F)CC1CCCCCC1
InChIInChI=1S/C18H27BrFN/c1-2-21-17(11-14-7-5-3-4-6-8-14)13-15-12-16(19)9-10-18(15)20/h9-10,12,14,17,21H,2-8,11,13H2,1H3
InChIKeyFOLTVLUSGNUMDO-UHFFFAOYSA-N
MW356.32 g/mol
LogP5.47
Rot. Bonds6

About 1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine

1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine (PubChem CID 115839556) has the molecular formula C18H27BrFN and a molecular weight of 356.32 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine
PubChem CID115839556
Molecular FormulaC18H27BrFN
Molecular Weight356.32 g/mol
Exact Mass355.13
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1cc(Br)ccc1F)CC1CCCCCC1
InChIInChI=1S/C18H27BrFN/c1-2-21-17(11-14-7-5-3-4-6-8-14)13-15-12-16(19)9-10-18(15)20/h9-10,12,14,17,21H,2-8,11,13H2,1H3
InChIKeyFOLTVLUSGNUMDO-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.32
LogP ≤ 55.47
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
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 105020430
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63420165
1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172
2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391044
1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105131796
2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine
CID 55095635
1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63415363
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 63987847
N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 114895057
4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 60995995

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine (CID 115839556) is 1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine is CCNC(Cc1cc(Br)ccc1F)CC1CCCCCC1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine?
The InChIKey is FOLTVLUSGNUMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrFN/c1-2-21-17(11-14-7-5-3-4-6-8-14)13-15-12-16(19)9-10-18(15)20/h9-10,12,14,17,21H,2-8,11,13H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine?
1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine has a molecular weight of 356.32 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine is sourced from PubChem (CID 115839556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).