N-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine

C13H16BrF3N2 — CID 107287024

IUPACN-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine
SMILESCC1CC(Nc2cc(Br)ccc2C(F)(F)F)CCN1
InChIInChI=1S/C13H16BrF3N2/c1-8-6-10(4-5-18-8)19-12-7-9(14)2-3-11(12)13(15,16)17/h2-3,7-8,10,18-19H,4-6H2,1H3
InChIKeyYPRKGVURXKYBOH-UHFFFAOYSA-N
MW337.18 g/mol
LogP4.02
Rot. Bonds2

About N-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine

N-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine (PubChem CID 107287024) has the molecular formula C13H16BrF3N2 and a molecular weight of 337.18 g/mol. Its IUPAC name is N-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine
PubChem CID107287024
Molecular FormulaC13H16BrF3N2
Molecular Weight337.18 g/mol
Exact Mass336.04
IUPAC NameN-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine
SMILESCC1CC(Nc2cc(Br)ccc2C(F)(F)F)CCN1
InChIInChI=1S/C13H16BrF3N2/c1-8-6-10(4-5-18-8)19-12-7-9(14)2-3-11(12)13(15,16)17/h2-3,7-8,10,18-19H,4-6H2,1H3
InChIKeyYPRKGVURXKYBOH-UHFFFAOYSA-N
XLogP4.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 107286818
4-N-[5-bromo-2-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine
CID 107286948
5-bromo-N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106996016
3-[5-bromo-2-(trifluoromethyl)anilino]piperidin-2-one
CID 107286185
5-bromo-N-[(3-methylcyclopentyl)methyl]-2-(trifluoromethyl)aniline
CID 107414090
3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione
CID 107286372
5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
CID 106996112
5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120586069
(3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine
CID 107287003
2-[5-bromo-2-(trifluoromethyl)phenyl]-1,1-dimethylhydrazine
CID 107286484
3-[[(2S,4S)-2-methyloxan-4-yl]amino]-4-(trifluoromethyl)benzonitrile
CID 125138104
2-N-[5-bromo-2-(trifluoromethyl)phenyl]-3-ethoxycyclobutane-1,2-diamine
CID 107286938

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine?
The IUPAC name of N-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine (CID 107287024) is N-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine.
What is the SMILES notation for N-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine?
The canonical SMILES for N-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine is CC1CC(Nc2cc(Br)ccc2C(F)(F)F)CCN1.
What is the InChIKey of N-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine?
The InChIKey is YPRKGVURXKYBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2/c1-8-6-10(4-5-18-8)19-12-7-9(14)2-3-11(12)13(15,16)17/h2-3,7-8,10,18-19H,4-6H2,1H3.
What are the key properties of N-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine?
N-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine has a molecular weight of 337.18 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine is sourced from PubChem (CID 107287024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).