N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline

C12H14F4N2 — CID 107304222

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
SMILESNCC1(CNc2ccc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C12H14F4N2/c13-9-5-8(12(14,15)16)1-2-10(9)18-7-11(6-17)3-4-11/h1-2,5,18H,3-4,6-7,17H2
InChIKeyHNBOJRAETHAUGY-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.00
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline (PubChem CID 107304222) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
PubChem CID107304222
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
SMILESNCC1(CNc2ccc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C12H14F4N2/c13-9-5-8(12(14,15)16)1-2-10(9)18-7-11(6-17)3-4-11/h1-2,5,18H,3-4,6-7,17H2
InChIKeyHNBOJRAETHAUGY-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline (CID 107304222) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline is NCC1(CNc2ccc(C(F)(F)F)cc2F)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline?
The InChIKey is HNBOJRAETHAUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2/c13-9-5-8(12(14,15)16)1-2-10(9)18-7-11(6-17)3-4-11/h1-2,5,18H,3-4,6-7,17H2.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline has a molecular weight of 262.25 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 107304222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).