1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine

C13H18BrFN2 — CID 55086252

IUPAC1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2cc(F)ccc2Br)C1
InChIInChI=1S/C13H18BrFN2/c1-16-12-3-2-6-17(9-12)8-10-7-11(15)4-5-13(10)14/h4-5,7,12,16H,2-3,6,8-9H2,1H3
InChIKeyYDUQHAOAARLMSD-UHFFFAOYSA-N
MW301.20 g/mol
LogP2.77
Rot. Bonds3

About 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine

1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine (PubChem CID 55086252) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine
PubChem CID55086252
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2cc(F)ccc2Br)C1
InChIInChI=1S/C13H18BrFN2/c1-16-12-3-2-6-17(9-12)8-10-7-11(15)4-5-13(10)14/h4-5,7,12,16H,2-3,6,8-9H2,1H3
InChIKeyYDUQHAOAARLMSD-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905765
1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918436
4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol
CID 104869408
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol
CID 62021902
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910188
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55169050
1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114681427
1-[(2-bromo-5-fluorophenyl)methyl]azepane
CID 146004203
1-[(2-bromo-5-fluorophenyl)methyl]piperidine
CID 137320857
1-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 113499435
1-[(2-chlorothiophen-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120837875
N-methyl-1-(naphthalen-1-ylmethyl)piperidin-3-amine
CID 62536724

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine (CID 55086252) is 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine is CNC1CCCN(Cc2cc(F)ccc2Br)C1.
What is the InChIKey of 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is YDUQHAOAARLMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-16-12-3-2-6-17(9-12)8-10-7-11(15)4-5-13(10)14/h4-5,7,12,16H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine?
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 301.20 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 55086252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).