N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine

C15H21BrFN — CID 63508188

IUPACN-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(F)c(Br)c2)CCCC1
InChIInChI=1S/C15H21BrFN/c1-2-18-11-15(7-3-4-8-15)10-12-5-6-14(17)13(16)9-12/h5-6,9,18H,2-4,7-8,10-11H2,1H3
InChIKeyXAGQHXAAEQHGCB-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.30
Rot. Bonds5

About N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine

N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine (PubChem CID 63508188) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
PubChem CID63508188
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(F)c(Br)c2)CCCC1
InChIInChI=1S/C15H21BrFN/c1-2-18-11-15(7-3-4-8-15)10-12-5-6-14(17)13(16)9-12/h5-6,9,18H,2-4,7-8,10-11H2,1H3
InChIKeyXAGQHXAAEQHGCB-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 63507129
N-[[1-[(3,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 82929520
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196016
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66024671
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124598
N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 55195085
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 106271392
N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194315
N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 62724999
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194817
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194197
2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene
CID 66033542

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine (CID 63508188) is N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine is CCNCC1(Cc2ccc(F)c(Br)c2)CCCC1.
What is the InChIKey of N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine?
The InChIKey is XAGQHXAAEQHGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-2-18-11-15(7-3-4-8-15)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 N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine?
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine has a molecular weight of 314.24 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 63508188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).