2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine

C16H23BrFN — CID 63403426

IUPAC2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H23BrFN/c1-2-19-16-7-5-3-4-6-13(16)10-12-8-9-15(18)14(17)11-12/h8-9,11,13,16,19H,2-7,10H2,1H3
InChIKeyVEPWPMPDESZFMW-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.69
Rot. Bonds4

About 2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine

2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine (PubChem CID 63403426) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine
PubChem CID63403426
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC Name2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H23BrFN/c1-2-19-16-7-5-3-4-6-13(16)10-12-8-9-15(18)14(17)11-12/h8-9,11,13,16,19H,2-7,10H2,1H3
InChIKeyVEPWPMPDESZFMW-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine
CID 54978274
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105372322
2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene
CID 64907534
2-[(2,5-dichlorophenyl)methyl]-N-ethylcyclopentan-1-amine
CID 65318436
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 103042344
1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine
CID 65143955
N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397492
N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 55207614
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240
2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 55185583
N-[(3-bromo-4-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 63448345
2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 64987034

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine (CID 63403426) is 2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine?
The InChIKey is VEPWPMPDESZFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-2-19-16-7-5-3-4-6-13(16)10-12-8-9-15(18)14(17)11-12/h8-9,11,13,16,19H,2-7,10H2,1H3.
What are the key properties of 2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine?
2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine has a molecular weight of 328.27 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 63403426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).