2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine

C13H18BrFN2 — CID 116962876

IUPAC2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(c2cc(Br)ccc2F)CC1
InChIInChI=1S/C13H18BrFN2/c14-11-1-2-13(15)12(9-11)10-3-6-17(7-4-10)8-5-16/h1-2,9-10H,3-8,16H2
InChIKeyWNJUTQPJVQSWFL-UHFFFAOYSA-N
MW301.20 g/mol
LogP2.73
Rot. Bonds3

About 2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine

2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine (PubChem CID 116962876) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine
PubChem CID116962876
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(c2cc(Br)ccc2F)CC1
InChIInChI=1S/C13H18BrFN2/c14-11-1-2-13(15)12(9-11)10-3-6-17(7-4-10)8-5-16/h1-2,9-10H,3-8,16H2
InChIKeyWNJUTQPJVQSWFL-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine
CID 82292770
[(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanamine
CID 94556792
2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine
CID 116926572
2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine
CID 81014478
2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine
CID 82625462
1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one
CID 116981207
[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909746
2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine
CID 116962841
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine
CID 43438739
1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine
CID 117044801
3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine
CID 79740032
4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine
CID 80679697

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine (CID 116962876) is 2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine is NCCN1CCC(c2cc(Br)ccc2F)CC1.
What is the InChIKey of 2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine?
The InChIKey is WNJUTQPJVQSWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c14-11-1-2-13(15)12(9-11)10-3-6-17(7-4-10)8-5-16/h1-2,9-10H,3-8,16H2.
What are the key properties of 2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine?
2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine has a molecular weight of 301.20 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 116962876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).