2-propyl-5-(trifluoromethyl)aniline

C10H12F3N — CID 105455059

IUPAC2-propyl-5-(trifluoromethyl)aniline
SMILESCCCc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H12F3N/c1-2-3-7-4-5-8(6-9(7)14)10(11,12)13/h4-6H,2-3,14H2,1H3
InChIKeyZSSKSMRJWXTNLD-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.24
Rot. Bonds2

About 2-propyl-5-(trifluoromethyl)aniline

2-propyl-5-(trifluoromethyl)aniline (PubChem CID 105455059) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-propyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-propyl-5-(trifluoromethyl)aniline
PubChem CID105455059
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2-propyl-5-(trifluoromethyl)aniline
SMILESCCCc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H12F3N/c1-2-3-7-4-5-8(6-9(7)14)10(11,12)13/h4-6H,2-3,14H2,1H3
InChIKeyZSSKSMRJWXTNLD-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.24
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-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline
CID 174478916
2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline
CID 105472048
2-nitro-1-propyl-4-(trifluoromethyl)benzene
CID 20760273
5-(difluoromethyl)-2-propylaniline
CID 130537741
N-(diaminomethylidene)-2-propyl-5-(trifluoromethyl)benzamide
CID 18925631
2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene
CID 142967725
2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)aniline
CID 66270477
2-pentylsulfanyl-5-(trifluoromethyl)aniline
CID 43134930
1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene
CID 123667290
2-(2H-tetrazol-5-ylmethyl)-5-(trifluoromethyl)aniline
CID 71446304
2-(3-aminobutyl)-4-(trifluoromethyl)aniline
CID 105490665
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-(trifluoromethyl)aniline?
The IUPAC name of 2-propyl-5-(trifluoromethyl)aniline (CID 105455059) is 2-propyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-propyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-propyl-5-(trifluoromethyl)aniline is CCCc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-propyl-5-(trifluoromethyl)aniline?
The InChIKey is ZSSKSMRJWXTNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-2-3-7-4-5-8(6-9(7)14)10(11,12)13/h4-6H,2-3,14H2,1H3.
What are the key properties of 2-propyl-5-(trifluoromethyl)aniline?
2-propyl-5-(trifluoromethyl)aniline has a molecular weight of 203.21 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 105455059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).