1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine

C13H18BrFN2 — CID 107603732

IUPAC1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine
SMILESCCNC1CCCN(c2c(F)cccc2Br)C1
InChIInChI=1S/C13H18BrFN2/c1-2-16-10-5-4-8-17(9-10)13-11(14)6-3-7-12(13)15/h3,6-7,10,16H,2,4-5,8-9H2,1H3
InChIKeyIQHSAWCNCAURJP-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.17
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine

1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine (PubChem CID 107603732) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine
PubChem CID107603732
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine
SMILESCCNC1CCCN(c2c(F)cccc2Br)C1
InChIInChI=1S/C13H18BrFN2/c1-2-16-10-5-4-8-17(9-10)13-11(14)6-3-7-12(13)15/h3,6-7,10,16H,2,4-5,8-9H2,1H3
InChIKeyIQHSAWCNCAURJP-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-methylphenyl)-N-ethylpiperidin-3-amine
CID 66251825
1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine
CID 43315556
[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 107600716
N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 107600717
1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine
CID 65437234
N-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine
CID 107646128
(3R)-1-(2-bromo-6-fluorophenyl)-3-deuteriopyrrolidine
CID 175934790
1-(2-bromo-6-fluorophenyl)-4-methylpiperazine
CID 139569555
1-(2-bromophenyl)-N-ethylpiperidin-4-amine
CID 60862139
1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine
CID 107594230
1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine
CID 107603913
N-ethyl-1-pyrimidin-4-ylpiperidin-3-amine
CID 78945406

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine (CID 107603732) is 1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine is CCNC1CCCN(c2c(F)cccc2Br)C1.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine?
The InChIKey is IQHSAWCNCAURJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-2-16-10-5-4-8-17(9-10)13-11(14)6-3-7-12(13)15/h3,6-7,10,16H,2,4-5,8-9H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine?
1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine has a molecular weight of 301.20 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine is sourced from PubChem (CID 107603732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).