N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline

C11H12F3N — CID 172602253

IUPACN-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline
SMILESCNc1cccc(C2(C(F)(F)F)CC2)c1
InChIInChI=1S/C11H12F3N/c1-15-9-4-2-3-8(7-9)10(5-6-10)11(12,13)14/h2-4,7,15H,5-6H2,1H3
InChIKeyAEDSFOQBAAJKJR-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.32
Rot. Bonds2

About N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline

N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline (PubChem CID 172602253) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline.

Molecular Properties

Compound NameN-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline
PubChem CID172602253
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC NameN-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline
SMILESCNc1cccc(C2(C(F)(F)F)CC2)c1
InChIInChI=1S/C11H12F3N/c1-15-9-4-2-3-8(7-9)10(5-6-10)11(12,13)14/h2-4,7,15H,5-6H2,1H3
InChIKeyAEDSFOQBAAJKJR-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-oxo-N-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]butanamide
CID 166845030
N-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline
CID 167360160
1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene
CID 86277431
1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene
CID 84720738
N,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline
CID 174331105
3-fluoro-N-methylaniline
CID 2759011
1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene
CID 146290347
1-methyl-3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobut-2-en-1-amine;2,2,2-trifluoroacetic acid
CID 175794675
N-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline
CID 67560027
3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline
CID 116871185
2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenol
CID 135313160
3-fluoro-N-methylaniline;molecular hydrogen
CID 143398655

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline?
The IUPAC name of N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline (CID 172602253) is N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline.
What is the SMILES notation for N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline?
The canonical SMILES for N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline is CNc1cccc(C2(C(F)(F)F)CC2)c1.
What is the InChIKey of N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline?
The InChIKey is AEDSFOQBAAJKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c1-15-9-4-2-3-8(7-9)10(5-6-10)11(12,13)14/h2-4,7,15H,5-6H2,1H3.
What are the key properties of N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline?
N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline has a molecular weight of 215.22 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline is sourced from PubChem (CID 172602253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).