1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine

C15H21BrFN — CID 114124598

IUPAC1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
SMILESCCC1(CNCc2ccc(F)c(Br)c2)CCCC1
InChIInChI=1S/C15H21BrFN/c1-2-15(7-3-4-8-15)11-18-10-12-5-6-14(17)13(16)9-12/h5-6,9,18H,2-4,7-8,10-11H2,1H3
InChIKeyYVHFVEMDUBWWJV-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.65
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine

1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine (PubChem CID 114124598) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
PubChem CID114124598
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
SMILESCCC1(CNCc2ccc(F)c(Br)c2)CCCC1
InChIInChI=1S/C15H21BrFN/c1-2-15(7-3-4-8-15)11-18-10-12-5-6-14(17)13(16)9-12/h5-6,9,18H,2-4,7-8,10-11H2,1H3
InChIKeyYVHFVEMDUBWWJV-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 63508188
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 63507129
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196016
1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124465
N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765892
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66024671
4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline
CID 114125839
1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65116216
1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735458
N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine
CID 114107436
N'-[(3-bromo-4-fluorophenyl)methyl]-N-ethylethane-1,2-diamine
CID 107951053
1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735508

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine (CID 114124598) is 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine is CCC1(CNCc2ccc(F)c(Br)c2)CCCC1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine?
The InChIKey is YVHFVEMDUBWWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-2-15(7-3-4-8-15)11-18-10-12-5-6-14(17)13(16)9-12/h5-6,9,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine?
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine has a molecular weight of 314.24 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 114124598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).