4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline

C17H21FN2 — CID 103930885

IUPAC4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline
SMILESCC(Nc1ccc(C(C)(C)C)cc1)c1cncc(F)c1
InChIInChI=1S/C17H21FN2/c1-12(13-9-15(18)11-19-10-13)20-16-7-5-14(6-8-16)17(2,3)4/h5-12,20H,1-4H3
InChIKeyUSMNTGLHYARXNW-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.69
Rot. Bonds3

About 4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline

4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline (PubChem CID 103930885) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline
PubChem CID103930885
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline
SMILESCC(Nc1ccc(C(C)(C)C)cc1)c1cncc(F)c1
InChIInChI=1S/C17H21FN2/c1-12(13-9-15(18)11-19-10-13)20-16-7-5-14(6-8-16)17(2,3)4/h5-12,20H,1-4H3
InChIKeyUSMNTGLHYARXNW-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114080544
methyl 2-(4-tert-butylanilino)-2-(5-fluoro-3-pyridinyl)acetate
CID 166078225
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline
CID 103930916
N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline
CID 97337942
3-bromo-N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114262019
1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805098
N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline
CID 43100376
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1H-indazol-5-amine
CID 103932201
N-[2-fluoro-5-[1-(5-fluoro-3-pyridinyl)ethylamino]phenyl]acetamide
CID 103935526
N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide
CID 103935529
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
CID 103779066
4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline
CID 103935795

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline?
The IUPAC name of 4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline (CID 103930885) is 4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline.
What is the SMILES notation for 4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline?
The canonical SMILES for 4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline is CC(Nc1ccc(C(C)(C)C)cc1)c1cncc(F)c1.
What is the InChIKey of 4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline?
The InChIKey is USMNTGLHYARXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-12(13-9-15(18)11-19-10-13)20-16-7-5-14(6-8-16)17(2,3)4/h5-12,20H,1-4H3.
What are the key properties of 4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline?
4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline has a molecular weight of 272.37 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline is sourced from PubChem (CID 103930885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).