1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine

C10H13F2NO2 — CID 16790112

IUPAC1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine
SMILESCOc1cc(C(C)N)ccc1OC(F)F
InChIInChI=1S/C10H13F2NO2/c1-6(13)7-3-4-8(15-10(11)12)9(5-7)14-2/h3-6,10H,13H2,1-2H3
InChIKeyBEAWGBQBYFZGAN-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.32
Rot. Bonds4

About 1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine

1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine (PubChem CID 16790112) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine
PubChem CID16790112
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine
SMILESCOc1cc(C(C)N)ccc1OC(F)F
InChIInChI=1S/C10H13F2NO2/c1-6(13)7-3-4-8(15-10(11)12)9(5-7)14-2/h3-6,10H,13H2,1-2H3
InChIKeyBEAWGBQBYFZGAN-UHFFFAOYSA-N
XLogP2.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
CID 30078360
1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 50896740
(1S)-1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 78932669
(1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 78960200
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]propanoic acid
CID 55189911
methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate
CID 63366880
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
CID 80699992
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol
CID 66514880

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine?
The IUPAC name of 1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine (CID 16790112) is 1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine is COc1cc(C(C)N)ccc1OC(F)F.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine?
The InChIKey is BEAWGBQBYFZGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-6(13)7-3-4-8(15-10(11)12)9(5-7)14-2/h3-6,10H,13H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine?
1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine has a molecular weight of 217.22 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 16790112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).