N,N-dimethyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine

C14H16F3N3 — CID 10407870

IUPACN,N-dimethyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine
SMILESCN(C)CCc1cnc(-c2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C14H16F3N3/c1-20(2)7-6-12-9-18-13(19-12)10-4-3-5-11(8-10)14(15,16)17/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)
InChIKeyGOHPIKDATUAMSC-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.20
Rot. Bonds4

About N,N-dimethyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine

N,N-dimethyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine (PubChem CID 10407870) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine
PubChem CID10407870
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN,N-dimethyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine
SMILESCN(C)CCc1cnc(-c2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C14H16F3N3/c1-20(2)7-6-12-9-18-13(19-12)10-4-3-5-11(8-10)14(15,16)17/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)
InChIKeyGOHPIKDATUAMSC-UHFFFAOYSA-N
XLogP3.20
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine (CID 10407870) is N,N-dimethyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine is CN(C)CCc1cnc(-c2cccc(C(F)(F)F)c2)[nH]1.
What is the InChIKey of N,N-dimethyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine?
The InChIKey is GOHPIKDATUAMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-20(2)7-6-12-9-18-13(19-12)10-4-3-5-11(8-10)14(15,16)17/h3-5,8-9H,6-7H2,1-2H3,(H,18,19).
What are the key properties of N,N-dimethyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine?
N,N-dimethyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine has a molecular weight of 283.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 10407870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).