2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine

C14H19BrFN — CID 115843507

IUPAC2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine
SMILESCC1(C(N)Cc2cc(F)ccc2Br)CCCC1
InChIInChI=1S/C14H19BrFN/c1-14(6-2-3-7-14)13(17)9-10-8-11(16)4-5-12(10)15/h4-5,8,13H,2-3,6-7,9,17H2,1H3
InChIKeyDDFDHRSYERCSIF-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.04
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine

2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine (PubChem CID 115843507) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine
PubChem CID115843507
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine
SMILESCC1(C(N)Cc2cc(F)ccc2Br)CCCC1
InChIInChI=1S/C14H19BrFN/c1-14(6-2-3-7-14)13(17)9-10-8-11(16)4-5-12(10)15/h4-5,8,13H,2-3,6-7,9,17H2,1H3
InChIKeyDDFDHRSYERCSIF-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762549
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 115843879
2-(4-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethanamine
CID 114348186
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol
CID 80684366
1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 105374090
2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761603
2-(2-bromo-5-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105088454
2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115843812
1-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078
3-[(2-bromo-5-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 62915813
[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
CID 62723685

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine (CID 115843507) is 2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine is CC1(C(N)Cc2cc(F)ccc2Br)CCCC1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine?
The InChIKey is DDFDHRSYERCSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-14(6-2-3-7-14)13(17)9-10-8-11(16)4-5-12(10)15/h4-5,8,13H,2-3,6-7,9,17H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine?
2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine has a molecular weight of 300.21 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine is sourced from PubChem (CID 115843507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).