2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine

C14H15F3N2O — CID 107104507

IUPAC2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine
SMILESCc1ccc(C)n1NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O/c1-10-6-7-11(2)19(10)18-9-12-4-3-5-13(8-12)20-14(15,16)17/h3-8,18H,9H2,1-2H3
InChIKeySDIQZVIQFZSHKN-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.75
Rot. Bonds4

About 2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine

2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine (PubChem CID 107104507) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine
PubChem CID107104507
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine
SMILESCc1ccc(C)n1NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O/c1-10-6-7-11(2)19(10)18-9-12-4-3-5-13(8-12)20-14(15,16)17/h3-8,18H,9H2,1-2H3
InChIKeySDIQZVIQFZSHKN-UHFFFAOYSA-N
XLogP3.75
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104398
5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 103824040
N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 83335491
N-[[3-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83304199
N-[[3-(trifluoromethoxy)phenyl]methyl]but-2-yn-1-amine
CID 103868570
2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole
CID 152523745
1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
N',N'-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 83325765
4,4,4-trifluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]butan-2-amine
CID 104854651
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine?
The IUPAC name of 2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine (CID 107104507) is 2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine?
The canonical SMILES for 2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine is Cc1ccc(C)n1NCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine?
The InChIKey is SDIQZVIQFZSHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-10-6-7-11(2)19(10)18-9-12-4-3-5-13(8-12)20-14(15,16)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine?
2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine has a molecular weight of 284.28 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine is sourced from PubChem (CID 107104507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).