N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline

C11H14F3NO — CID 43425654

IUPACN-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline
SMILESCC(C)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-8(2)15-9-3-5-10(6-4-9)16-7-11(12,13)14/h3-6,8,15H,7H2,1-2H3
InChIKeyNSZYLSCISCNXQS-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.45
Rot. Bonds4

About N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline

N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline (PubChem CID 43425654) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound NameN-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline
PubChem CID43425654
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline
SMILESCC(C)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-8(2)15-9-3-5-10(6-4-9)16-7-11(12,13)14/h3-6,8,15H,7H2,1-2H3
InChIKeyNSZYLSCISCNXQS-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutan-2-yl)-4-(2,2,2-trifluoroethoxy)aniline
CID 43686735
N-butan-2-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 43686731
N-heptan-3-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 63944718
N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 169237349
acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
CID 143388365
N-propan-2-yl-4-propoxyaniline
CID 21311809
N-[1-(furan-2-yl)propyl]-4-(2,2,2-trifluoroethoxy)aniline
CID 62633976
4-[2-[4-(2,2,2-trifluoroethoxy)anilino]propanoylamino]benzamide
CID 42887485
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 60837802
N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline
CID 176845634
N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline
CID 43686729
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 134026710

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline (CID 43425654) is N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline is CC(C)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is NSZYLSCISCNXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8(2)15-9-3-5-10(6-4-9)16-7-11(12,13)14/h3-6,8,15H,7H2,1-2H3.
What are the key properties of N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline?
N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 233.23 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 43425654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).