(4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride

C11H16ClNO3 — CID 171252301

IUPAC(4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCOc1cc(OC)c2c(c1)OCC[C@H]2N.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-13-7-5-9(14-2)11-8(12)3-4-15-10(11)6-7;/h5-6,8H,3-4,12H2,1-2H3;1H/t8-;/m1./s1
InChIKeyNCLYGLGSRVCLBS-DDWIOCJRSA-N
MW245.71 g/mol
LogP1.91
Rot. Bonds2

About (4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride

(4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 171252301) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is (4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name(4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID171252301
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name(4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCOc1cc(OC)c2c(c1)OCC[C@H]2N.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-13-7-5-9(14-2)11-8(12)3-4-15-10(11)6-7;/h5-6,8H,3-4,12H2,1-2H3;1H/t8-;/m1./s1
InChIKeyNCLYGLGSRVCLBS-DDWIOCJRSA-N
XLogP1.91
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-6,8-dimethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014321
2,4,6,8-tetramethoxy-5-(2,4,6-trimethoxyphenyl)-5H-benzo[d][1,3]benzodioxocine
CID 70993959
(4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 130658442
(4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol
CID 130642446
(4S)-5,6,7-trifluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252159
(4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252232
5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 79416481
(3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 130625417
(3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 131002588
N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 43589787
(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130691735
(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 103693937

Frequently Asked Questions

What is the IUPAC name of (4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of (4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 171252301) is (4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for (4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for (4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride is COc1cc(OC)c2c(c1)OCC[C@H]2N.Cl.
What is the InChIKey of (4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is NCLYGLGSRVCLBS-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-13-7-5-9(14-2)11-8(12)3-4-15-10(11)6-7;/h5-6,8H,3-4,12H2,1-2H3;1H/t8-;/m1./s1.
What are the key properties of (4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
(4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 171252301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).