4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline

C13H19F3N2O — CID 61450136

IUPAC4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline
SMILESCOCC(C)N(C)c1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-9(8-19-3)18(2)11-5-4-10(7-17)12(6-11)13(14,15)16/h4-6,9H,7-8,17H2,1-3H3
InChIKeyFDYRPKCMMAFXOH-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.64
Rot. Bonds5

About 4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline

4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline (PubChem CID 61450136) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline
PubChem CID61450136
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline
SMILESCOCC(C)N(C)c1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-9(8-19-3)18(2)11-5-4-10(7-17)12(6-11)13(14,15)16/h4-6,9H,7-8,17H2,1-3H3
InChIKeyFDYRPKCMMAFXOH-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline (CID 61450136) is 4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline is COCC(C)N(C)c1ccc(CN)c(C(F)(F)F)c1.
What is the InChIKey of 4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline?
The InChIKey is FDYRPKCMMAFXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-9(8-19-3)18(2)11-5-4-10(7-17)12(6-11)13(14,15)16/h4-6,9H,7-8,17H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline?
4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline has a molecular weight of 276.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 61450136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).