(1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride

C10H12ClF2NO — CID 171215724

IUPAC(1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1c(F)ccc(OC)c1F.Cl
InChIInChI=1S/C10H11F2NO.ClH/c1-3-7(13)9-6(11)4-5-8(14-2)10(9)12;/h3-5,7H,1,13H2,2H3;1H/t7-;/m1./s1
InChIKeyJWENLUUWGGHOGK-OGFXRTJISA-N
MW235.66 g/mol
LogP2.58
Rot. Bonds3

About (1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride

(1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride (PubChem CID 171215724) has the molecular formula C10H12ClF2NO and a molecular weight of 235.66 g/mol. Its IUPAC name is (1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
PubChem CID171215724
Molecular FormulaC10H12ClF2NO
Molecular Weight235.66 g/mol
Exact Mass235.06
IUPAC Name(1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1c(F)ccc(OC)c1F.Cl
InChIInChI=1S/C10H11F2NO.ClH/c1-3-7(13)9-6(11)4-5-8(14-2)10(9)12;/h3-5,7H,1,13H2,2H3;1H/t7-;/m1./s1
InChIKeyJWENLUUWGGHOGK-OGFXRTJISA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.66
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2,6-difluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171215754
1-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 55272050
(1S)-1-(3-bromo-2,6-difluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171224707
(1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171205858
(1S)-2-cyclopropyl-1-(2,6-difluoro-3-methoxyphenyl)ethanamine;hydrochloride
CID 171235369
(2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile
CID 130625977
(1S)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine;hydrochloride
CID 171235359
(1S)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171235352
(1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine
CID 55278131
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine
CID 171215725
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine
CID 171215718
(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 131139061

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride (CID 171215724) is (1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride is C=C[C@@H](N)c1c(F)ccc(OC)c1F.Cl.
What is the InChIKey of (1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is JWENLUUWGGHOGK-OGFXRTJISA-N. The full InChI is InChI=1S/C10H11F2NO.ClH/c1-3-7(13)9-6(11)4-5-8(14-2)10(9)12;/h3-5,7H,1,13H2,2H3;1H/t7-;/m1./s1.
What are the key properties of (1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride?
(1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 235.66 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 171215724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).