(2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride

C14H22ClNO5 — CID 140767062

IUPAC(2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride
SMILESCOc1ccc2c(c1)O[C@@H](COC[C@H](O)CO)C[C@H]2N.Cl
InChIInChI=1S/C14H21NO5.ClH/c1-18-10-2-3-12-13(15)4-11(20-14(12)5-10)8-19-7-9(17)6-16;/h2-3,5,9,11,13,16-17H,4,6-8,15H2,1H3;1H/t9-,11-,13-;/m1./s1
InChIKeyHNOKXDLOGGIQGJ-JOCNCMMXSA-N
MW319.79 g/mol
LogP0.64
Rot. Bonds6

About (2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride

(2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride (PubChem CID 140767062) has the molecular formula C14H22ClNO5 and a molecular weight of 319.79 g/mol. Its IUPAC name is (2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name(2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride
PubChem CID140767062
Molecular FormulaC14H22ClNO5
Molecular Weight319.79 g/mol
Exact Mass319.12
IUPAC Name(2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride
SMILESCOc1ccc2c(c1)O[C@@H](COC[C@H](O)CO)C[C@H]2N.Cl
InChIInChI=1S/C14H21NO5.ClH/c1-18-10-2-3-12-13(15)4-11(20-14(12)5-10)8-19-7-9(17)6-16;/h2-3,5,9,11,13,16-17H,4,6-8,15H2,1H3;1H/t9-,11-,13-;/m1./s1
InChIKeyHNOKXDLOGGIQGJ-JOCNCMMXSA-N
XLogP0.64
TPSA94.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944582
2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114708832
(4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944916
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789
(4R)-7-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104944786
2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709859
4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
CID 114708803
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809
(4R)-2-(5-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104980319
(4R)-2-(4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944806
(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946892

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride?
The IUPAC name of (2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride (CID 140767062) is (2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride.
What is the SMILES notation for (2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride?
The canonical SMILES for (2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride is COc1ccc2c(c1)O[C@@H](COC[C@H](O)CO)C[C@H]2N.Cl.
What is the InChIKey of (2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride?
The InChIKey is HNOKXDLOGGIQGJ-JOCNCMMXSA-N. The full InChI is InChI=1S/C14H21NO5.ClH/c1-18-10-2-3-12-13(15)4-11(20-14(12)5-10)8-19-7-9(17)6-16;/h2-3,5,9,11,13,16-17H,4,6-8,15H2,1H3;1H/t9-,11-,13-;/m1./s1.
What are the key properties of (2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride?
(2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride has a molecular weight of 319.79 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride is sourced from PubChem (CID 140767062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).