N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride

C20H24ClNO3 — CID 47008214

IUPACN-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCOc1cc2c(cc1CNC1CCOc3ccccc31)OC(C)C2.Cl
InChIInChI=1S/C20H23NO3.ClH/c1-13-9-14-10-19(22-2)15(11-20(14)24-13)12-21-17-7-8-23-18-6-4-3-5-16(17)18;/h3-6,10-11,13,17,21H,7-9,12H2,1-2H3;1H
InChIKeyQMZWCWSOQJCZSS-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.05
Rot. Bonds4

About N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 47008214) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID47008214
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC NameN-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCOc1cc2c(cc1CNC1CCOc3ccccc31)OC(C)C2.Cl
InChIInChI=1S/C20H23NO3.ClH/c1-13-9-14-10-19(22-2)15(11-20(14)24-13)12-21-17-7-8-23-18-6-4-3-5-16(17)18;/h3-6,10-11,13,17,21H,7-9,12H2,1-2H3;1H
InChIKeyQMZWCWSOQJCZSS-UHFFFAOYSA-N
XLogP4.05
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride 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

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]oxetan-3-amine
CID 115349694
2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline
CID 115349438
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 56827821
1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine
CID 34539767
(3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine
CID 30618496
(3R)-3-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]azepan-2-one
CID 97045781
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylsulfonylaniline
CID 122157309
2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol
CID 43723819
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701403
trans-(1R,2R)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 124859758
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]thiadiazol-5-amine
CID 107649544
(1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine
CID 30615935

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 47008214) is N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride is COc1cc2c(cc1CNC1CCOc3ccccc31)OC(C)C2.Cl.
What is the InChIKey of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is QMZWCWSOQJCZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3.ClH/c1-13-9-14-10-19(22-2)15(11-20(14)24-13)12-21-17-7-8-23-18-6-4-3-5-16(17)18;/h3-6,10-11,13,17,21H,7-9,12H2,1-2H3;1H.
What are the key properties of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 47008214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).