2-(3-aminobutyl)-4-(trifluoromethyl)aniline

C11H15F3N2 — CID 105490665

IUPAC2-(3-aminobutyl)-4-(trifluoromethyl)aniline
SMILESCC(N)CCc1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C11H15F3N2/c1-7(15)2-3-8-6-9(11(12,13)14)4-5-10(8)16/h4-7H,2-3,15-16H2,1H3
InChIKeyQPQZHZRRFUOICA-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.57
Rot. Bonds3

About 2-(3-aminobutyl)-4-(trifluoromethyl)aniline

2-(3-aminobutyl)-4-(trifluoromethyl)aniline (PubChem CID 105490665) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-(3-aminobutyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(3-aminobutyl)-4-(trifluoromethyl)aniline
PubChem CID105490665
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name2-(3-aminobutyl)-4-(trifluoromethyl)aniline
SMILESCC(N)CCc1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C11H15F3N2/c1-7(15)2-3-8-6-9(11(12,13)14)4-5-10(8)16/h4-7H,2-3,15-16H2,1H3
InChIKeyQPQZHZRRFUOICA-UHFFFAOYSA-N
XLogP2.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminobutyl)-4-fluoroaniline
CID 105440162
(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine
CID 70970416
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613
4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-2-amine
CID 81197499
4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 54775947
2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline
CID 102689474
(2S)-4-[3-tert-butyl-5-(trifluoromethyl)phenyl]butan-2-amine
CID 90210058
2-propyl-5-(trifluoromethyl)aniline
CID 105455059
2-amino-1-[2-amino-5-(trifluoromethyl)phenyl]propan-1-ol
CID 105494015
6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine
CID 83921161
4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine
CID 106584831
2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline
CID 105486416

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(3-aminobutyl)-4-(trifluoromethyl)aniline (CID 105490665) is 2-(3-aminobutyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(3-aminobutyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(3-aminobutyl)-4-(trifluoromethyl)aniline is CC(N)CCc1cc(C(F)(F)F)ccc1N.
What is the InChIKey of 2-(3-aminobutyl)-4-(trifluoromethyl)aniline?
The InChIKey is QPQZHZRRFUOICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-7(15)2-3-8-6-9(11(12,13)14)4-5-10(8)16/h4-7H,2-3,15-16H2,1H3.
What are the key properties of 2-(3-aminobutyl)-4-(trifluoromethyl)aniline?
2-(3-aminobutyl)-4-(trifluoromethyl)aniline has a molecular weight of 232.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 105490665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).