4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline

C14H20F3NO — CID 61491042

IUPAC4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
SMILESCCCc1ccc(NCCCOCC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-2-4-12-5-7-13(8-6-12)18-9-3-10-19-11-14(15,16)17/h5-8,18H,2-4,9-11H2,1H3
InChIKeyFGGWTCXAYNYLFI-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.02
Rot. Bonds8

About 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline

4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline (PubChem CID 61491042) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline.

Molecular Properties

Compound Name4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
PubChem CID61491042
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
SMILESCCCc1ccc(NCCCOCC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-2-4-12-5-7-13(8-6-12)18-9-3-10-19-11-14(15,16)17/h5-8,18H,2-4,9-11H2,1H3
InChIKeyFGGWTCXAYNYLFI-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54962007
2-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetonitrile
CID 62301681
4-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 61491160
N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide
CID 61491158
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline
CID 62648259
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492510
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492242
3-N,3-N,4-trimethyl-1-N-[3-(2,2,2-trifluoroethoxy)propyl]benzene-1,3-diamine
CID 115378143
6-(4-propylanilino)hexan-1-ol
CID 103868001
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574
N-(propoxymethyl)-4-propylaniline
CID 162035789

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline?
The IUPAC name of 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline (CID 61491042) is 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline.
What is the SMILES notation for 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline?
The canonical SMILES for 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline is CCCc1ccc(NCCCOCC(F)(F)F)cc1.
What is the InChIKey of 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline?
The InChIKey is FGGWTCXAYNYLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-2-4-12-5-7-13(8-6-12)18-9-3-10-19-11-14(15,16)17/h5-8,18H,2-4,9-11H2,1H3.
What are the key properties of 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline?
4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline has a molecular weight of 275.31 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline is sourced from PubChem (CID 61491042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).