2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine

C15H21BrFN — CID 65399396

IUPAC2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine
SMILESNC(Cc1ccc(Br)cc1F)C1CCCCCC1
InChIInChI=1S/C15H21BrFN/c16-13-8-7-12(14(17)10-13)9-15(18)11-5-3-1-2-4-6-11/h7-8,10-11,15H,1-6,9,18H2
InChIKeyMZQYDQORHKIFSY-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.43
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine

2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine (PubChem CID 65399396) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine
PubChem CID65399396
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine
SMILESNC(Cc1ccc(Br)cc1F)C1CCCCCC1
InChIInChI=1S/C15H21BrFN/c16-13-8-7-12(14(17)10-13)9-15(18)11-5-3-1-2-4-6-11/h7-8,10-11,15H,1-6,9,18H2
InChIKeyMZQYDQORHKIFSY-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine
CID 55095635
1-cycloheptyl-2-(2-fluorophenyl)ethanamine
CID 62590179
1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine
CID 65138710
N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine
CID 115926774
3-(4-bromo-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
CID 103457440
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373996
3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride
CID 170892207
2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol
CID 106634576
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine (CID 65399396) is 2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine is NC(Cc1ccc(Br)cc1F)C1CCCCCC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine?
The InChIKey is MZQYDQORHKIFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c16-13-8-7-12(14(17)10-13)9-15(18)11-5-3-1-2-4-6-11/h7-8,10-11,15H,1-6,9,18H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine?
2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine has a molecular weight of 314.24 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine is sourced from PubChem (CID 65399396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).