2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline

C12H14F3N — CID 105486416

IUPAC2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)cc1CC1CCC1
InChIInChI=1S/C12H14F3N/c13-12(14,15)10-4-5-11(16)9(7-10)6-8-2-1-3-8/h4-5,7-8H,1-3,6,16H2
InChIKeyVGVZNAAWWRNPIV-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.63
Rot. Bonds2

About 2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline

2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline (PubChem CID 105486416) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline
PubChem CID105486416
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)cc1CC1CCC1
InChIInChI=1S/C12H14F3N/c13-12(14,15)10-4-5-11(16)9(7-10)6-8-2-1-3-8/h4-5,7-8H,1-3,6,16H2
InChIKeyVGVZNAAWWRNPIV-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyloxy-4-(trifluoromethyl)aniline
CID 162679508
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
2-cyclohexyl-4-(trifluoromethyl)aniline
CID 117104242
2-(3-aminobutyl)-4-(trifluoromethyl)aniline
CID 105490665
3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane
CID 73425037
2-(cyclopropylmethyl)aniline
CID 55285261
cyclobutylmethanamine;4-fluoro-2-(trifluoromethyl)aniline
CID 158995511
2-[1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107227070
1-chloro-7-(trifluoromethyl)naphthalen-2-amine
CID 18451487
2-(cyclobutylmethyl)-6-fluoroaniline
CID 105438233
4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 83261999
2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline
CID 117095791

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline (CID 105486416) is 2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline is Nc1ccc(C(F)(F)F)cc1CC1CCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline?
The InChIKey is VGVZNAAWWRNPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c13-12(14,15)10-4-5-11(16)9(7-10)6-8-2-1-3-8/h4-5,7-8H,1-3,6,16H2.
What are the key properties of 2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline?
2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline has a molecular weight of 229.24 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 105486416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).