5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline

C13H18BrFN2 — CID 115209597

IUPAC5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline
SMILESCN(CC1CCCNC1)c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2/c1-17(9-10-3-2-6-16-8-10)13-7-11(14)4-5-12(13)15/h4-5,7,10,16H,2-3,6,8-9H2,1H3
InChIKeyAMFYSYYDDXGCOQ-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.02
Rot. Bonds3

About 5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline

5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline (PubChem CID 115209597) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline
PubChem CID115209597
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline
SMILESCN(CC1CCCNC1)c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2/c1-17(9-10-3-2-6-16-8-10)13-7-11(14)4-5-12(13)15/h4-5,7,10,16H,2-3,6,8-9H2,1H3
InChIKeyAMFYSYYDDXGCOQ-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzonitrile
CID 106642648
5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642759
3,5-difluoro-4-[methyl(piperidin-3-ylmethyl)amino]benzonitrile
CID 106642871
N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 120849544
5-bromo-N-ethyl-2-fluoro-N-methylaniline
CID 115259359
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642701
2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209874
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156
7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine
CID 106642854
6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106623839
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline?
The IUPAC name of 5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline (CID 115209597) is 5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for 5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for 5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline is CN(CC1CCCNC1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline?
The InChIKey is AMFYSYYDDXGCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-17(9-10-3-2-6-16-8-10)13-7-11(14)4-5-12(13)15/h4-5,7,10,16H,2-3,6,8-9H2,1H3.
What are the key properties of 5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline?
5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline has a molecular weight of 301.20 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 115209597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).