2-[(Z)-2-aminoprop-1-enyl]-6-(difluoromethoxy)-4-methylaniline

C11H14F2N2O — CID 156896241

IUPAC2-[(Z)-2-aminoprop-1-enyl]-6-(difluoromethoxy)-4-methylaniline
SMILESC/C(N)=C/c1cc(C)cc(OC(F)F)c1N
InChIInChI=1S/C11H14F2N2O/c1-6-3-8(5-7(2)14)10(15)9(4-6)16-11(12)13/h3-5,11H,14-15H2,1-2H3/b7-5-
InChIKeyUZTPXVVLTZTYEI-ALCCZGGFSA-N
MW228.24 g/mol
LogP2.50
Rot. Bonds3

About 2-[(Z)-2-aminoprop-1-enyl]-6-(difluoromethoxy)-4-methylaniline

2-[(Z)-2-aminoprop-1-enyl]-6-(difluoromethoxy)-4-methylaniline (PubChem CID 156896241) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-[(Z)-2-aminoprop-1-enyl]-6-(difluoromethoxy)-4-methylaniline.

Molecular Properties

Compound Name2-[(Z)-2-aminoprop-1-enyl]-6-(difluoromethoxy)-4-methylaniline
PubChem CID156896241
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name2-[(Z)-2-aminoprop-1-enyl]-6-(difluoromethoxy)-4-methylaniline
SMILESC/C(N)=C/c1cc(C)cc(OC(F)F)c1N
InChIInChI=1S/C11H14F2N2O/c1-6-3-8(5-7(2)14)10(15)9(4-6)16-11(12)13/h3-5,11H,14-15H2,1-2H3/b7-5-
InChIKeyUZTPXVVLTZTYEI-ALCCZGGFSA-N
XLogP2.50
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethoxy)-2-fluoro-5-methylbenzaldehyde
CID 131567111
3-(difluoromethoxy)-2,5-dimethylbenzaldehyde
CID 131524669
3-(difluoromethoxy)-5-methyl-2-nitrobenzaldehyde
CID 171032274
4-amino-3-[(Z)-2-aminoprop-1-enyl]-5-methoxybenzoic acid;ethane
CID 156872566
1-[2-(difluoromethoxy)-6-iodo-4-methylphenyl]ethanone
CID 131616290
1,2-dichloro-3-(difluoromethoxy)-5-methylbenzene
CID 130785589
3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde
CID 174808071
4-acetyl-5-(difluoromethoxy)-2-methylbenzaldehyde
CID 171032064
4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde
CID 171004500
2-acetyl-6-(difluoromethoxy)-4-methylbenzonitrile
CID 131277260
5-acetyl-2-amino-3-(difluoromethoxy)benzonitrile
CID 171028297
4-amino-3-(difluoromethoxy)-5-sulfanylbenzoic acid
CID 142320411

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-aminoprop-1-enyl]-6-(difluoromethoxy)-4-methylaniline?
The IUPAC name of 2-[(Z)-2-aminoprop-1-enyl]-6-(difluoromethoxy)-4-methylaniline (CID 156896241) is 2-[(Z)-2-aminoprop-1-enyl]-6-(difluoromethoxy)-4-methylaniline.
What is the SMILES notation for 2-[(Z)-2-aminoprop-1-enyl]-6-(difluoromethoxy)-4-methylaniline?
The canonical SMILES for 2-[(Z)-2-aminoprop-1-enyl]-6-(difluoromethoxy)-4-methylaniline is C/C(N)=C/c1cc(C)cc(OC(F)F)c1N.
What is the InChIKey of 2-[(Z)-2-aminoprop-1-enyl]-6-(difluoromethoxy)-4-methylaniline?
The InChIKey is UZTPXVVLTZTYEI-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-6-3-8(5-7(2)14)10(15)9(4-6)16-11(12)13/h3-5,11H,14-15H2,1-2H3/b7-5-.
What are the key properties of 2-[(Z)-2-aminoprop-1-enyl]-6-(difluoromethoxy)-4-methylaniline?
2-[(Z)-2-aminoprop-1-enyl]-6-(difluoromethoxy)-4-methylaniline has a molecular weight of 228.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-aminoprop-1-enyl]-6-(difluoromethoxy)-4-methylaniline is sourced from PubChem (CID 156896241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).