2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine

C20H24BrNO5 — CID 10365829

IUPAC2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine
SMILESCOc1ccc2c(c1)OC(OCCN)CC2c1cc(Br)c(OC)c(OC)c1
InChIInChI=1S/C20H24BrNO5/c1-23-13-4-5-14-15(11-19(26-7-6-22)27-17(14)10-13)12-8-16(21)20(25-3)18(9-12)24-2/h4-5,8-10,15,19H,6-7,11,22H2,1-3H3
InChIKeyRLDNIDPBIXAJCN-UHFFFAOYSA-N
MW438.32 g/mol
LogP3.69
Rot. Bonds7

About 2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine

2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine (PubChem CID 10365829) has the molecular formula C20H24BrNO5 and a molecular weight of 438.32 g/mol. Its IUPAC name is 2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine
PubChem CID10365829
Molecular FormulaC20H24BrNO5
Molecular Weight438.32 g/mol
Exact Mass437.08
IUPAC Name2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine
SMILESCOc1ccc2c(c1)OC(OCCN)CC2c1cc(Br)c(OC)c(OC)c1
InChIInChI=1S/C20H24BrNO5/c1-23-13-4-5-14-15(11-19(26-7-6-22)27-17(14)10-13)12-8-16(21)20(25-3)18(9-12)24-2/h4-5,8-10,15,19H,6-7,11,22H2,1-3H3
InChIKeyRLDNIDPBIXAJCN-UHFFFAOYSA-N
XLogP3.69
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-2-(3-bromo-4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944739
(4R)-7-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104944786
3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
CID 83477684
(2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene
CID 42645227
(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944586
6-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one
CID 15419594
4-(3-bromo-4,5-dimethoxyphenyl)-7-methyl-3,4-dihydropyrano[2,3-e]indol-2-one
CID 10001933
(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944590
2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714248
4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine
CID 141338014
methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845853
7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710884

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine?
The IUPAC name of 2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine (CID 10365829) is 2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine.
What is the SMILES notation for 2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine?
The canonical SMILES for 2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine is COc1ccc2c(c1)OC(OCCN)CC2c1cc(Br)c(OC)c(OC)c1.
What is the InChIKey of 2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine?
The InChIKey is RLDNIDPBIXAJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO5/c1-23-13-4-5-14-15(11-19(26-7-6-22)27-17(14)10-13)12-8-16(21)20(25-3)18(9-12)24-2/h4-5,8-10,15,19H,6-7,11,22H2,1-3H3.
What are the key properties of 2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine?
2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine has a molecular weight of 438.32 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine is sourced from PubChem (CID 10365829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).