3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine

C12H15F2NO2 — CID 79330049

IUPAC3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine
SMILESCOc1cc(C=C(C)CN)ccc1OC(F)F
InChIInChI=1S/C12H15F2NO2/c1-8(7-15)5-9-3-4-10(17-12(13)14)11(6-9)16-2/h3-6,12H,7,15H2,1-2H3
InChIKeyLXTVVIJWBBSEPY-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.66
Rot. Bonds5

About 3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine

3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine (PubChem CID 79330049) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine
PubChem CID79330049
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine
SMILESCOc1cc(C=C(C)CN)ccc1OC(F)F
InChIInChI=1S/C12H15F2NO2/c1-8(7-15)5-9-3-4-10(17-12(13)14)11(6-9)16-2/h3-6,12H,7,15H2,1-2H3
InChIKeyLXTVVIJWBBSEPY-UHFFFAOYSA-N
XLogP2.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79341026
(Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 131431095
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]butan-1-amine
CID 79322998
4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine
CID 76996810
(Z)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 2341134
5-(3-amino-2-methylprop-1-enyl)-2-methoxybenzonitrile
CID 79329259
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344074
2-cyano-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 78565472
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylprop-2-enoic acid
CID 79727135
3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine
CID 79328704
(E)-4-[3-(difluoromethoxy)-4-methoxyphenyl]but-3-en-1-amine
CID 63970735
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 16545202

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine?
The IUPAC name of 3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine (CID 79330049) is 3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine is COc1cc(C=C(C)CN)ccc1OC(F)F.
What is the InChIKey of 3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine?
The InChIKey is LXTVVIJWBBSEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-8(7-15)5-9-3-4-10(17-12(13)14)11(6-9)16-2/h3-6,12H,7,15H2,1-2H3.
What are the key properties of 3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine?
3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine has a molecular weight of 243.25 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79330049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).