4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline

C10H13F3N2 — CID 62105465

IUPAC4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline
SMILESCCNc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C10H13F3N2/c1-2-15-8-4-3-7(6-14)9(5-8)10(11,12)13/h3-5,15H,2,6,14H2,1H3
InChIKeyUQCRMGGAQPPJNA-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.60
Rot. Bonds3

About 4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline

4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline (PubChem CID 62105465) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline
PubChem CID62105465
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline
SMILESCCNc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C10H13F3N2/c1-2-15-8-4-3-7(6-14)9(5-8)10(11,12)13/h3-5,15H,2,6,14H2,1H3
InChIKeyUQCRMGGAQPPJNA-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline (CID 62105465) is 4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline is CCNc1ccc(CN)c(C(F)(F)F)c1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline?
The InChIKey is UQCRMGGAQPPJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-2-15-8-4-3-7(6-14)9(5-8)10(11,12)13/h3-5,15H,2,6,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline?
4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline has a molecular weight of 218.22 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 62105465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).