(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride

C11H17ClFNO3 — CID 171214010

IUPAC(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1cc(F)c([C@H](N)CCO)cc1OC.Cl
InChIInChI=1S/C11H16FNO3.ClH/c1-15-10-5-7(9(13)3-4-14)8(12)6-11(10)16-2;/h5-6,9,14H,3-4,13H2,1-2H3;1H/t9-;/m1./s1
InChIKeyOZCTUNKVHFZXFJ-SBSPUUFOSA-N
MW265.71 g/mol
LogP1.65
Rot. Bonds5

About (3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride

(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 171214010) has the molecular formula C11H17ClFNO3 and a molecular weight of 265.71 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
PubChem CID171214010
Molecular FormulaC11H17ClFNO3
Molecular Weight265.71 g/mol
Exact Mass265.09
IUPAC Name(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1cc(F)c([C@H](N)CCO)cc1OC.Cl
InChIInChI=1S/C11H16FNO3.ClH/c1-15-10-5-7(9(13)3-4-14)8(12)6-11(10)16-2;/h5-6,9,14H,3-4,13H2,1-2H3;1H/t9-;/m1./s1
InChIKeyOZCTUNKVHFZXFJ-SBSPUUFOSA-N
XLogP1.65
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089
(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171213964
6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide
CID 62865517
3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol
CID 84782788
3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol
CID 84785101
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
CID 171204045
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
(3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171215813
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol
CID 170874488
1-(4-chloro-2-fluoro-5-methoxyphenyl)butan-1-amine
CID 83988368
3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55271938

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride (CID 171214010) is (3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride is COc1cc(F)c([C@H](N)CCO)cc1OC.Cl.
What is the InChIKey of (3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is OZCTUNKVHFZXFJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H16FNO3.ClH/c1-15-10-5-7(9(13)3-4-14)8(12)6-11(10)16-2;/h5-6,9,14H,3-4,13H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride?
(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 265.71 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171214010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).