N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride

C19H22ClNO4 — CID 56827821

IUPACN-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCOc1cc(CNC2CCOc3ccccc32)cc2c1OCCO2.Cl
InChIInChI=1S/C19H21NO4.ClH/c1-21-17-10-13(11-18-19(17)24-9-8-23-18)12-20-15-6-7-22-16-5-3-2-4-14(15)16;/h2-5,10-11,15,20H,6-9,12H2,1H3;1H
InChIKeySDEFQSAGMFGQHD-UHFFFAOYSA-N
MW363.84 g/mol
LogP3.50
Rot. Bonds4

About N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride

N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 56827821) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID56827821
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC NameN-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCOc1cc(CNC2CCOc3ccccc32)cc2c1OCCO2.Cl
InChIInChI=1S/C19H21NO4.ClH/c1-21-17-10-13(11-18-19(17)24-9-8-23-18)12-20-15-6-7-22-16-5-3-2-4-14(15)16;/h2-5,10-11,15,20H,6-9,12H2,1H3;1H
InChIKeySDEFQSAGMFGQHD-UHFFFAOYSA-N
XLogP3.50
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclooctanamine
CID 60590073
N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461734
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclopent-3-en-1-amine
CID 115696385
3-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]azepan-2-one;hydrochloride
CID 56814243
N-[(3,4,5-trifluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 63051373
4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol
CID 79831854
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 47008214
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
1-cyclobutyl-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]methanamine
CID 60790517
N-cyclopentyloxy-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine
CID 83229552
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]propan-2-amine
CID 60657642
8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461727

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 56827821) is N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride is COc1cc(CNC2CCOc3ccccc32)cc2c1OCCO2.Cl.
What is the InChIKey of N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is SDEFQSAGMFGQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4.ClH/c1-21-17-10-13(11-18-19(17)24-9-8-23-18)12-20-15-6-7-22-16-5-3-2-4-14(15)16;/h2-5,10-11,15,20H,6-9,12H2,1H3;1H.
What are the key properties of N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 363.84 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 56827821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).