4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline

C14H21F3N2O — CID 81053579

IUPAC4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline
SMILESCC(C)OCCN(C)c1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2O/c1-10(2)20-7-6-19(3)12-5-4-11(9-18)13(8-12)14(15,16)17/h4-5,8,10H,6-7,9,18H2,1-3H3
InChIKeyBVYVYQSOWIQCMS-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.03
Rot. Bonds6

About 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline

4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline (PubChem CID 81053579) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline
PubChem CID81053579
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline
SMILESCC(C)OCCN(C)c1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2O/c1-10(2)20-7-6-19(3)12-5-4-11(9-18)13(8-12)14(15,16)17/h4-5,8,10H,6-7,9,18H2,1-3H3
InChIKeyBVYVYQSOWIQCMS-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline (CID 81053579) is 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline is CC(C)OCCN(C)c1ccc(CN)c(C(F)(F)F)c1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline?
The InChIKey is BVYVYQSOWIQCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-10(2)20-7-6-19(3)12-5-4-11(9-18)13(8-12)14(15,16)17/h4-5,8,10H,6-7,9,18H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline?
4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline has a molecular weight of 290.33 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 81053579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).