2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline

C11H12F4N2 — CID 114159735

IUPAC2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline
SMILESNc1c(F)cccc1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C11H12F4N2/c12-8-3-1-2-7(9(8)16)6-17-10(4-5-10)11(13,14)15/h1-3,17H,4-6,16H2
InChIKeyTUMQUDGOWAMYNU-UHFFFAOYSA-N
MW248.22 g/mol
LogP2.59
Rot. Bonds3

About 2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline

2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline (PubChem CID 114159735) has the molecular formula C11H12F4N2 and a molecular weight of 248.22 g/mol. Its IUPAC name is 2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline
PubChem CID114159735
Molecular FormulaC11H12F4N2
Molecular Weight248.22 g/mol
Exact Mass248.09
IUPAC Name2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline
SMILESNc1c(F)cccc1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C11H12F4N2/c12-8-3-1-2-7(9(8)16)6-17-10(4-5-10)11(13,14)15/h1-3,17H,4-6,16H2
InChIKeyTUMQUDGOWAMYNU-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210231
5-bromo-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline
CID 106219106
N-[(2-amino-3-fluorophenyl)methyl]-3-methyloxan-3-amine
CID 114113972
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210790
1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 106209964
N-[(2-prop-2-enoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210646
3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile
CID 106212165
N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158577
N-[(4-phenylphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106209965
2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline
CID 83143874
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210973
N-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158902

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline?
The IUPAC name of 2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline (CID 114159735) is 2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline.
What is the SMILES notation for 2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline?
The canonical SMILES for 2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline is Nc1c(F)cccc1CNC1(C(F)(F)F)CC1.
What is the InChIKey of 2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline?
The InChIKey is TUMQUDGOWAMYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2/c12-8-3-1-2-7(9(8)16)6-17-10(4-5-10)11(13,14)15/h1-3,17H,4-6,16H2.
What are the key properties of 2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline?
2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline has a molecular weight of 248.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline is sourced from PubChem (CID 114159735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).