(1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride

C11H16ClF2NO3 — CID 171239375

IUPAC(1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cc(OC)c([C@@H](N)C(F)F)cc1OC.Cl
InChIInChI=1S/C11H15F2NO3.ClH/c1-15-7-5-9(17-3)8(16-2)4-6(7)10(14)11(12)13;/h4-5,10-11H,14H2,1-3H3;1H/t10-;/m1./s1
InChIKeyHDAVHLKDVPVJOK-HNCPQSOCSA-N
MW283.70 g/mol
LogP2.40
Rot. Bonds5

About (1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride

(1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride (PubChem CID 171239375) has the molecular formula C11H16ClF2NO3 and a molecular weight of 283.70 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride
PubChem CID171239375
Molecular FormulaC11H16ClF2NO3
Molecular Weight283.70 g/mol
Exact Mass283.08
IUPAC Name(1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cc(OC)c([C@@H](N)C(F)F)cc1OC.Cl
InChIInChI=1S/C11H15F2NO3.ClH/c1-15-7-5-9(17-3)8(16-2)4-6(7)10(14)11(12)13;/h4-5,10-11H,14H2,1-3H3;1H/t10-;/m1./s1
InChIKeyHDAVHLKDVPVJOK-HNCPQSOCSA-N
XLogP2.40
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-1-amino-3,3-dimethyl-1-(2,4,5-trimethoxyphenyl)butan-2-ol;hydrochloride
CID 171160797
(1S,2R)-1-amino-3,3-dimethyl-1-(2,4,5-trimethoxyphenyl)butan-2-ol;hydrochloride
CID 171162228
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
(1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 171246095
(1R)-4,4,4-trifluoro-1-(2,4,5-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171199538
(3R)-3-amino-2,2-difluoro-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171239383
(1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 103694284
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089
(1S)-1-(3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 28973213
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 116934954
(1R)-3-methyl-1-(2,4,5-trimethoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171199552

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride (CID 171239375) is (1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride is COc1cc(OC)c([C@@H](N)C(F)F)cc1OC.Cl.
What is the InChIKey of (1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is HDAVHLKDVPVJOK-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15F2NO3.ClH/c1-15-7-5-9(17-3)8(16-2)4-6(7)10(14)11(12)13;/h4-5,10-11H,14H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride?
(1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride has a molecular weight of 283.70 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171239375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).