N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine

C16H23BrFN — CID 105011844

IUPACN-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1F)C1(CC)CCCC1
InChIInChI=1S/C16H23BrFN/c1-3-16(9-5-6-10-16)15(19-4-2)13-11-12(17)7-8-14(13)18/h7-8,11,15,19H,3-6,9-10H2,1-2H3
InChIKeyMNOZGYYJMGBSCV-UHFFFAOYSA-N
MW328.27 g/mol
LogP5.21
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine

N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine (PubChem CID 105011844) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine
PubChem CID105011844
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC NameN-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1F)C1(CC)CCCC1
InChIInChI=1S/C16H23BrFN/c1-3-16(9-5-6-10-16)15(19-4-2)13-11-12(17)7-8-14(13)18/h7-8,11,15,19H,3-6,9-10H2,1-2H3
InChIKeyMNOZGYYJMGBSCV-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.27
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 115852769
1-[1-(aminomethyl)cyclobutyl]-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 116958816
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765825
[(5-bromo-2-fluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105323101
N-[(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105167473
N-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine
CID 105027220
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-[(3-bromo-4-ethoxyphenyl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 104657609
1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 114894862
[(5-bromo-2-fluorophenyl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253463
1-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 116660748
N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 116762140

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine (CID 105011844) is N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine is CCNC(c1cc(Br)ccc1F)C1(CC)CCCC1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine?
The InChIKey is MNOZGYYJMGBSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-3-16(9-5-6-10-16)15(19-4-2)13-11-12(17)7-8-14(13)18/h7-8,11,15,19H,3-6,9-10H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine?
N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine has a molecular weight of 328.27 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 105011844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).