N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine

C17H24FN — CID 106652433

IUPACN-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine
SMILESCCNC(/C1=C/CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H24FN/c1-2-19-17(15-10-12-16(18)13-11-15)14-8-6-4-3-5-7-9-14/h8,10-13,17,19H,2-7,9H2,1H3/b14-8+
InChIKeyMRLDOCSBOLFXOI-RIYZIHGNSA-N
MW261.38 g/mol
LogP4.76
Rot. Bonds4

About N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine

N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine (PubChem CID 106652433) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine
PubChem CID106652433
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC NameN-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine
SMILESCCNC(/C1=C/CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H24FN/c1-2-19-17(15-10-12-16(18)13-11-15)14-8-6-4-3-5-7-9-14/h8,10-13,17,19H,2-7,9H2,1H3/b14-8+
InChIKeyMRLDOCSBOLFXOI-RIYZIHGNSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.76
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

N-[cyclohexen-1-yl-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63505798
N-[(3-chloro-4-iodophenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656144
N-[cyclopenten-1-yl(phenyl)methyl]ethanamine
CID 62077860
N-[(4-bromo-3-methylphenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 113396706
N-[(3-bromo-4-methylphenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 81471701
N-[(4-chlorophenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106652441
N-[(4-bromo-3,5-dimethylphenyl)-(cyclohepten-1-yl)methyl]ethanamine
CID 106654741
N-[(4-chloro-2,5-difluorophenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656364
N-[(4-chloro-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106652927
N-[(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methyl]ethanamine
CID 106657198
N-[cyclohepten-1-yl-(2-methylsulfanylphenyl)methyl]ethanamine
CID 103718540
N-[[(1E)-cycloocten-1-yl]-(3-methoxyphenyl)methyl]ethanamine
CID 106652417

Frequently Asked Questions

What is the IUPAC name of N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine (CID 106652433) is N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine is CCNC(/C1=C/CCCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine?
The InChIKey is MRLDOCSBOLFXOI-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H24FN/c1-2-19-17(15-10-12-16(18)13-11-15)14-8-6-4-3-5-7-9-14/h8,10-13,17,19H,2-7,9H2,1H3/b14-8+.
What are the key properties of N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine?
N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine has a molecular weight of 261.38 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 106652433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).