1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine

C11H15F2NO2 — CID 50896740

IUPAC1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
SMILESCOc1cc(C(C)N)ccc1OCC(F)F
InChIInChI=1S/C11H15F2NO2/c1-7(14)8-3-4-9(10(5-8)15-2)16-6-11(12)13/h3-5,7,11H,6,14H2,1-2H3
InChIKeyNZMHQACQVIRVTF-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.36
Rot. Bonds5

About 1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine

1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine (PubChem CID 50896740) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
PubChem CID50896740
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
SMILESCOc1cc(C(C)N)ccc1OCC(F)F
InChIInChI=1S/C11H15F2NO2/c1-7(14)8-3-4-9(10(5-8)15-2)16-6-11(12)13/h3-5,7,11H,6,14H2,1-2H3
InChIKeyNZMHQACQVIRVTF-UHFFFAOYSA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 78932669
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
CID 80699992
1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine
CID 16790112
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60880342
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60879775
(1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 78960200
(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
CID 30078360
(1S)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanamine
CID 78936706

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine?
The IUPAC name of 1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine (CID 50896740) is 1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine.
What is the SMILES notation for 1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine?
The canonical SMILES for 1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine is COc1cc(C(C)N)ccc1OCC(F)F.
What is the InChIKey of 1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine?
The InChIKey is NZMHQACQVIRVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-7(14)8-3-4-9(10(5-8)15-2)16-6-11(12)13/h3-5,7,11H,6,14H2,1-2H3.
What are the key properties of 1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine?
1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine has a molecular weight of 231.24 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 50896740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).