2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline

C16H25F3N2 — CID 43587076

IUPAC2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline
SMILESCCC(CC)CN(CC)c1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C16H25F3N2/c1-4-12(5-2)11-21(6-3)15-8-7-14(16(17,18)19)9-13(15)10-20/h7-9,12H,4-6,10-11,20H2,1-3H3
InChIKeyFCHDDNDOTOGPQS-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.43
Rot. Bonds7

About 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline

2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline (PubChem CID 43587076) has the molecular formula C16H25F3N2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline
PubChem CID43587076
Molecular FormulaC16H25F3N2
Molecular Weight302.38 g/mol
Exact Mass302.20
IUPAC Name2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline
SMILESCCC(CC)CN(CC)c1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C16H25F3N2/c1-4-12(5-2)11-21(6-3)15-8-7-14(16(17,18)19)9-13(15)10-20/h7-9,12H,4-6,10-11,20H2,1-3H3
InChIKeyFCHDDNDOTOGPQS-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline (CID 43587076) is 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline is CCC(CC)CN(CC)c1ccc(C(F)(F)F)cc1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline?
The InChIKey is FCHDDNDOTOGPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2/c1-4-12(5-2)11-21(6-3)15-8-7-14(16(17,18)19)9-13(15)10-20/h7-9,12H,4-6,10-11,20H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline?
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline has a molecular weight of 302.38 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 43587076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).