N-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline

C14H20FN — CID 146522209

IUPACN-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline
SMILESC/C=C(\C)N(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C14H20FN/c1-6-11(2)16(14(3,4)5)13-9-7-12(15)8-10-13/h6-10H,1-5H3/b11-6+
InChIKeyRPLUTJKCTITCRN-IZZDOVSWSA-N
MW221.32 g/mol
LogP4.35
Rot. Bonds2

About N-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline

N-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline (PubChem CID 146522209) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline
PubChem CID146522209
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline
SMILESC/C=C(\C)N(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C14H20FN/c1-6-11(2)16(14(3,4)5)13-9-7-12(15)8-10-13/h6-10H,1-5H3/b11-6+
InChIKeyRPLUTJKCTITCRN-IZZDOVSWSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline
CID 170134397
(Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine
CID 146755291
N-(4-bromophenyl)-N-tert-butyl-4-fluoroaniline
CID 59590166
2-[(Z)-3-(4-fluoro-N-methylanilino)but-2-enylidene]propanedial
CID 143930577
(2S)-2-[4-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-(4-fluorophenyl)propanoic acid
CID 151542424
4-fluoro-N-methyl-N-phenylaniline
CID 54288754
2-deuterio-4-fluoro-N,N-dimethylaniline
CID 146161763
N-ethenyl-4-fluoro-N-methylaniline
CID 130442199
N-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide
CID 63176690
[(E)-1-(4-fluorophenyl)-4,4-dimethyl-3-oxopent-1-enyl] 4-fluorobenzoate
CID 100981481
2-(4-fluorophenyl)propan-2-ol
CID 637733
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 103429881

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline?
The IUPAC name of N-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline (CID 146522209) is N-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline is C/C=C(\C)N(c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline?
The InChIKey is RPLUTJKCTITCRN-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H20FN/c1-6-11(2)16(14(3,4)5)13-9-7-12(15)8-10-13/h6-10H,1-5H3/b11-6+.
What are the key properties of N-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline?
N-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline has a molecular weight of 221.32 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline is sourced from PubChem (CID 146522209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).