4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine

C12H15F2NO2 — CID 76996810

IUPAC4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine
SMILESCOc1cc(C=CCCN)ccc1OC(F)F
InChIInChI=1S/C12H15F2NO2/c1-16-11-8-9(4-2-3-7-15)5-6-10(11)17-12(13)14/h2,4-6,8,12H,3,7,15H2,1H3
InChIKeyFBLIYWKHQXMENT-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.66
Rot. Bonds6

About 4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine

4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine (PubChem CID 76996810) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine
PubChem CID76996810
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine
SMILESCOc1cc(C=CCCN)ccc1OC(F)F
InChIInChI=1S/C12H15F2NO2/c1-16-11-8-9(4-2-3-7-15)5-6-10(11)17-12(13)14/h2,4-6,8,12H,3,7,15H2,1H3
InChIKeyFBLIYWKHQXMENT-UHFFFAOYSA-N
XLogP2.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-[3-(difluoromethoxy)-4-methoxyphenyl]but-3-en-1-amine
CID 63970735
4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine
CID 76996860
3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine
CID 79330049
4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene
CID 79334494
5-(4-aminobut-1-enyl)-2-methoxybenzonitrile
CID 170487372
4-(4-aminobut-1-enyl)-2-methoxybenzaldehyde
CID 170487189
(Z)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 2341134
1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene
CID 12892889
4-[4-(difluoromethoxy)-3,5-dimethylphenyl]but-3-en-1-amine
CID 76997188
4-[5-bromo-2-(difluoromethoxy)phenyl]but-3-en-1-amine
CID 76997310
N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine
CID 79346738
3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79341026

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine?
The IUPAC name of 4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine (CID 76996810) is 4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine.
What is the SMILES notation for 4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine?
The canonical SMILES for 4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine is COc1cc(C=CCCN)ccc1OC(F)F.
What is the InChIKey of 4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine?
The InChIKey is FBLIYWKHQXMENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-16-11-8-9(4-2-3-7-15)5-6-10(11)17-12(13)14/h2,4-6,8,12H,3,7,15H2,1H3.
What are the key properties of 4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine?
4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine has a molecular weight of 243.25 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine is sourced from PubChem (CID 76996810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).