2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline

C14H19F3N2O — CID 61450425

IUPAC2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline
SMILESCOCCN(c1ccc(C(F)(F)F)cc1CN)C1CC1
InChIInChI=1S/C14H19F3N2O/c1-20-7-6-19(12-3-4-12)13-5-2-11(14(15,16)17)8-10(13)9-18/h2,5,8,12H,3-4,6-7,9,18H2,1H3
InChIKeyDPYMCJNIPLZZCX-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.78
Rot. Bonds6

About 2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline

2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline (PubChem CID 61450425) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline
PubChem CID61450425
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline
SMILESCOCCN(c1ccc(C(F)(F)F)cc1CN)C1CC1
InChIInChI=1S/C14H19F3N2O/c1-20-7-6-19(12-3-4-12)13-5-2-11(14(15,16)17)8-10(13)9-18/h2,5,8,12H,3-4,6-7,9,18H2,1H3
InChIKeyDPYMCJNIPLZZCX-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline (CID 61450425) is 2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline is COCCN(c1ccc(C(F)(F)F)cc1CN)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline?
The InChIKey is DPYMCJNIPLZZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-20-7-6-19(12-3-4-12)13-5-2-11(14(15,16)17)8-10(13)9-18/h2,5,8,12H,3-4,6-7,9,18H2,1H3.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline?
2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline has a molecular weight of 288.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 61450425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).