(5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine

C15H19BrFN — CID 106654768

IUPAC(5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine
SMILESNC(/C1=C/CCCCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C15H19BrFN/c16-12-8-9-14(17)13(10-12)15(18)11-6-4-2-1-3-5-7-11/h6,8-10,15H,1-5,7,18H2/b11-6+
InChIKeyWOUSFDSOLADZQR-IZZDOVSWSA-N
MW312.23 g/mol
LogP4.87
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine

(5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine (PubChem CID 106654768) has the molecular formula C15H19BrFN and a molecular weight of 312.23 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine
PubChem CID106654768
Molecular FormulaC15H19BrFN
Molecular Weight312.23 g/mol
Exact Mass311.07
IUPAC Name(5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine
SMILESNC(/C1=C/CCCCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C15H19BrFN/c16-12-8-9-14(17)13(10-12)15(18)11-6-4-2-1-3-5-7-11/h6,8-10,15H,1-5,7,18H2/b11-6+
InChIKeyWOUSFDSOLADZQR-IZZDOVSWSA-N
XLogP4.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.87
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

cyclohepten-1-yl-(2,5-difluorophenyl)methanamine
CID 106652966
(4-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654796
(5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine
CID 65307996
[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine
CID 106652892
(4-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methanamine
CID 55034229
1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 62079579
(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 114894573
cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 63047741
(2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine
CID 106859008
cyclohepten-1-yl-(3,5-difluorophenyl)methanamine
CID 62080192
(4-bromothiophen-2-yl)-(cycloocten-1-yl)methanamine
CID 106653050
N-[(4-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106654774

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine (CID 106654768) is (5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine is NC(/C1=C/CCCCCC1)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine?
The InChIKey is WOUSFDSOLADZQR-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H19BrFN/c16-12-8-9-14(17)13(10-12)15(18)11-6-4-2-1-3-5-7-11/h6,8-10,15H,1-5,7,18H2/b11-6+.
What are the key properties of (5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine?
(5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine has a molecular weight of 312.23 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine is sourced from PubChem (CID 106654768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).