2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine

C11H15F2NO2 — CID 64867479

IUPAC2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine
SMILESCNCCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C11H15F2NO2/c1-14-6-5-8-3-4-9(15-2)10(7-8)16-11(12)13/h3-4,7,11,14H,5-6H2,1-2H3
InChIKeyCIAREIBWEJLQKA-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.06
Rot. Bonds6

About 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine

2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine (PubChem CID 64867479) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine
PubChem CID64867479
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine
SMILESCNCCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C11H15F2NO2/c1-14-6-5-8-3-4-9(15-2)10(7-8)16-11(12)13/h3-4,7,11,14H,5-6H2,1-2H3
InChIKeyCIAREIBWEJLQKA-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine
CID 64866198
2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]guanidine
CID 110928047
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propane-2-sulfonamide
CID 61363039
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111002153
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111125593
2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide
CID 119767861
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine
CID 117302149
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95282179
2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1,3-diethylguanidine
CID 110928049
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111170910

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine?
The IUPAC name of 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine (CID 64867479) is 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine?
The canonical SMILES for 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine is CNCCc1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine?
The InChIKey is CIAREIBWEJLQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-14-6-5-8-3-4-9(15-2)10(7-8)16-11(12)13/h3-4,7,11,14H,5-6H2,1-2H3.
What are the key properties of 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine?
2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine has a molecular weight of 231.24 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine is sourced from PubChem (CID 64867479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).