2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline

C18H23FN2 — CID 115938515

IUPAC2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
SMILESCCC(Nc1ccccc1C(C)(C)C)c1ccc(F)cn1
InChIInChI=1S/C18H23FN2/c1-5-15(17-11-10-13(19)12-20-17)21-16-9-7-6-8-14(16)18(2,3)4/h6-12,15,21H,5H2,1-4H3
InChIKeyDHNJAUQSGXPRDU-UHFFFAOYSA-N
MW286.39 g/mol
LogP5.08
Rot. Bonds4

About 2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline

2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline (PubChem CID 115938515) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
PubChem CID115938515
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
SMILESCCC(Nc1ccccc1C(C)(C)C)c1ccc(F)cn1
InChIInChI=1S/C18H23FN2/c1-5-15(17-11-10-13(19)12-20-17)21-16-9-7-6-8-14(16)18(2,3)4/h6-12,15,21H,5H2,1-4H3
InChIKeyDHNJAUQSGXPRDU-UHFFFAOYSA-N
XLogP5.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.39
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938659
1-[2-[1-(5-fluoro-2-pyridinyl)propylamino]phenyl]ethanol
CID 115938696
3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582927
3-N-[1-(5-fluoro-2-pyridinyl)propyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 115938549
2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582924
N-[1-(5-fluoro-2-pyridinyl)propyl]-2-propan-2-yloxypyridin-3-amine
CID 115938692
N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 115938553
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115938501
2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline
CID 112582820
4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid
CID 115938582
N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 142702173

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The IUPAC name of 2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline (CID 115938515) is 2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline.
What is the SMILES notation for 2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The canonical SMILES for 2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline is CCC(Nc1ccccc1C(C)(C)C)c1ccc(F)cn1.
What is the InChIKey of 2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The InChIKey is DHNJAUQSGXPRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-5-15(17-11-10-13(19)12-20-17)21-16-9-7-6-8-14(16)18(2,3)4/h6-12,15,21H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline has a molecular weight of 286.39 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline is sourced from PubChem (CID 115938515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).