N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine

C12H13F3N2 — CID 79504007

IUPACN-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1ccc(C(F)(F)F)cc1NC1=NCCC1
InChIInChI=1S/C12H13F3N2/c1-8-4-5-9(12(13,14)15)7-10(8)17-11-3-2-6-16-11/h4-5,7H,2-3,6H2,1H3,(H,16,17)
InChIKeyYZXBKOLYJPMYAZ-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.62
Rot. Bonds1

About N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79504007) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79504007
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC NameN-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1ccc(C(F)(F)F)cc1NC1=NCCC1
InChIInChI=1S/C12H13F3N2/c1-8-4-5-9(12(13,14)15)7-10(8)17-11-3-2-6-16-11/h4-5,7H,2-3,6H2,1H3,(H,16,17)
InChIKeyYZXBKOLYJPMYAZ-UHFFFAOYSA-N
XLogP3.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79503705
2-methyl-N-oxido-5-(trifluoromethyl)aniline
CID 176656270
N-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508850
2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80925833
N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine
CID 66479132
N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 107634340
2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine
CID 113367381
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 114837222
6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 66476214
5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 66481516
6-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 66477569

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 79504007) is N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine is Cc1ccc(C(F)(F)F)cc1NC1=NCCC1.
What is the InChIKey of N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is YZXBKOLYJPMYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c1-8-4-5-9(12(13,14)15)7-10(8)17-11-3-2-6-16-11/h4-5,7H,2-3,6H2,1H3,(H,16,17).
What are the key properties of N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 242.24 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79504007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).