4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline

C20H24FN — CID 143052053

IUPAC4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline
SMILESC=C(C)Nc1ccc(CCc2ccc(C(C)(C)F)cc2)cc1
InChIInChI=1S/C20H24FN/c1-15(2)22-19-13-9-17(10-14-19)6-5-16-7-11-18(12-8-16)20(3,4)21/h7-14,22H,1,5-6H2,2-4H3
InChIKeyXGRPNRNOTHYJSY-UHFFFAOYSA-N
MW297.42 g/mol
LogP5.62
Rot. Bonds6

About 4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline

4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline (PubChem CID 143052053) has the molecular formula C20H24FN and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline
PubChem CID143052053
Molecular FormulaC20H24FN
Molecular Weight297.42 g/mol
Exact Mass297.19
IUPAC Name4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline
SMILESC=C(C)Nc1ccc(CCc2ccc(C(C)(C)F)cc2)cc1
InChIInChI=1S/C20H24FN/c1-15(2)22-19-13-9-17(10-14-19)6-5-16-7-11-18(12-8-16)20(3,4)21/h7-14,22H,1,5-6H2,2-4H3
InChIKeyXGRPNRNOTHYJSY-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.42
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine
CID 134219544
2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine
CID 84666441
1-N-[(4-pentylphenyl)methyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine
CID 138455661
4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline
CID 129135425
1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea
CID 108910439
2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933950
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid
CID 154659493
N-(3-methylbut-3-enyl)-4-(trifluoromethyl)aniline
CID 114471916
1-[4-(2-aminoethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154675698
1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene
CID 142025123
N-but-1-en-2-yl-4-propylaniline
CID 142064783

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline?
The IUPAC name of 4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline (CID 143052053) is 4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline.
What is the SMILES notation for 4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline?
The canonical SMILES for 4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline is C=C(C)Nc1ccc(CCc2ccc(C(C)(C)F)cc2)cc1.
What is the InChIKey of 4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline?
The InChIKey is XGRPNRNOTHYJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN/c1-15(2)22-19-13-9-17(10-14-19)6-5-16-7-11-18(12-8-16)20(3,4)21/h7-14,22H,1,5-6H2,2-4H3.
What are the key properties of 4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline?
4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline has a molecular weight of 297.42 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline is sourced from PubChem (CID 143052053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).