N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline

C16H20FN — CID 134441858

IUPACN-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline
SMILESC=C(C)c1cc(NC(=C)C2CC2(C)C)ccc1F
InChIInChI=1S/C16H20FN/c1-10(2)13-8-12(6-7-15(13)17)18-11(3)14-9-16(14,4)5/h6-8,14,18H,1,3,9H2,2,4-5H3
InChIKeyCOSYBMYSKWMGRG-UHFFFAOYSA-N
MW245.34 g/mol
LogP4.83
Rot. Bonds4

About N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline

N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline (PubChem CID 134441858) has the molecular formula C16H20FN and a molecular weight of 245.34 g/mol. Its IUPAC name is N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline.

Molecular Properties

Compound NameN-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline
PubChem CID134441858
Molecular FormulaC16H20FN
Molecular Weight245.34 g/mol
Exact Mass245.16
IUPAC NameN-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline
SMILESC=C(C)c1cc(NC(=C)C2CC2(C)C)ccc1F
InChIInChI=1S/C16H20FN/c1-10(2)13-8-12(6-7-15(13)17)18-11(3)14-9-16(14,4)5/h6-8,14,18H,1,3,9H2,2,4-5H3
InChIKeyCOSYBMYSKWMGRG-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-methyl-3-prop-1-en-2-ylaniline
CID 138653491
3-N-[1-[5-[1-(2,2-dimethylcyclopropyl)ethenylamino]-2,3-dimethylphenyl]ethenyl]-2,4-difluorobenzene-1,3-diamine
CID 134442021
N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107001572
(E)-3-[5-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-fluorophenyl]prop-2-enoic acid
CID 107003025
4-fluoro-3-methyl-N-prop-1-en-2-ylaniline
CID 142248112
4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline
CID 138653193
N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 134441971
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen
CID 145121367
5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 110903029
N-(3-acetyl-4-fluorophenyl)-2-(hydroxymethyl)-2-methylazetidine-1-carboxamide
CID 138007026

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline?
The IUPAC name of N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline (CID 134441858) is N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline.
What is the SMILES notation for N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline?
The canonical SMILES for N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline is C=C(C)c1cc(NC(=C)C2CC2(C)C)ccc1F.
What is the InChIKey of N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline?
The InChIKey is COSYBMYSKWMGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN/c1-10(2)13-8-12(6-7-15(13)17)18-11(3)14-9-16(14,4)5/h6-8,14,18H,1,3,9H2,2,4-5H3.
What are the key properties of N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline?
N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline has a molecular weight of 245.34 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline is sourced from PubChem (CID 134441858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).