N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine

C13H16F4N2 — CID 107303866

IUPACN-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine
SMILESCC1NCCCC1Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C13H16F4N2/c1-8-11(3-2-6-18-8)19-12-5-4-9(7-10(12)14)13(15,16)17/h4-5,7-8,11,18-19H,2-3,6H2,1H3
InChIKeyBXHBVOQIZFDCCV-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.40
Rot. Bonds2

About N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine

N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine (PubChem CID 107303866) has the molecular formula C13H16F4N2 and a molecular weight of 276.28 g/mol. Its IUPAC name is N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine
PubChem CID107303866
Molecular FormulaC13H16F4N2
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC NameN-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine
SMILESCC1NCCCC1Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C13H16F4N2/c1-8-11(3-2-6-18-8)19-12-5-4-9(7-10(12)14)13(15,16)17/h4-5,7-8,11,18-19H,2-3,6H2,1H3
InChIKeyBXHBVOQIZFDCCV-UHFFFAOYSA-N
XLogP3.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 103702887
N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine
CID 103873048
4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine
CID 107303820
N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107303636
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine
CID 107260546
N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107303637
N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine
CID 114695569
trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102733436
(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 66519435
N-(5-bromo-4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine
CID 114695324
2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546014

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine?
The IUPAC name of N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine (CID 107303866) is N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine.
What is the SMILES notation for N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine?
The canonical SMILES for N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine is CC1NCCCC1Nc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine?
The InChIKey is BXHBVOQIZFDCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2/c1-8-11(3-2-6-18-8)19-12-5-4-9(7-10(12)14)13(15,16)17/h4-5,7-8,11,18-19H,2-3,6H2,1H3.
What are the key properties of N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine?
N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine has a molecular weight of 276.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine is sourced from PubChem (CID 107303866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).