(4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine

C17H19NO3 — CID 104946218

IUPAC(4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cccc(C2C[C@@H](N)c3ccccc3O2)c1OC
InChIInChI=1S/C17H19NO3/c1-19-15-9-5-7-12(17(15)20-2)16-10-13(18)11-6-3-4-8-14(11)21-16/h3-9,13,16H,10,18H2,1-2H3/t13-,16?/m1/s1
InChIKeySWELLCLIZIQVBQ-JBZHPUCOSA-N
MW285.34 g/mol
LogP3.23
Rot. Bonds3

About (4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946218) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946218
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cccc(C2C[C@@H](N)c3ccccc3O2)c1OC
InChIInChI=1S/C17H19NO3/c1-19-15-9-5-7-12(17(15)20-2)16-10-13(18)11-6-3-4-8-14(11)21-16/h3-9,13,16H,10,18H2,1-2H3/t13-,16?/m1/s1
InChIKeySWELLCLIZIQVBQ-JBZHPUCOSA-N
XLogP3.23
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809
2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709441
(4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 104945921
(4R)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 104946162
(4S)-2-(3-bromo-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945825
(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944590
(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946116
2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712012
(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945420
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709442
2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709531

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104946218) is (4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine is COc1cccc(C2C[C@@H](N)c3ccccc3O2)c1OC.
What is the InChIKey of (4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is SWELLCLIZIQVBQ-JBZHPUCOSA-N. The full InChI is InChI=1S/C17H19NO3/c1-19-15-9-5-7-12(17(15)20-2)16-10-13(18)11-6-3-4-8-14(11)21-16/h3-9,13,16H,10,18H2,1-2H3/t13-,16?/m1/s1.
What are the key properties of (4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 285.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).