N-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine

C18H21NO2 — CID 65352203

IUPACN-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)C1COc2ccccc2O1
InChIInChI=1S/C18H21NO2/c1-3-19-18(14-8-6-7-13(2)11-14)17-12-20-15-9-4-5-10-16(15)21-17/h4-11,17-19H,3,12H2,1-2H3
InChIKeyJTLWNGBAAXFMRF-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.49
Rot. Bonds4

About N-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine

N-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine (PubChem CID 65352203) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine
PubChem CID65352203
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)C1COc2ccccc2O1
InChIInChI=1S/C18H21NO2/c1-3-19-18(14-8-6-7-13(2)11-14)17-12-20-15-9-4-5-10-16(15)21-17/h4-11,17-19H,3,12H2,1-2H3
InChIKeyJTLWNGBAAXFMRF-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]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

N-[(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
CID 80532499
N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105230188
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79180105
N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine
CID 115789774
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-3-methylbut-2-en-1-amine
CID 79180267
N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 64774201
1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65409900
N-[(3-methyl-1,4-dithian-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 115387103
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 65351512

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine (CID 65352203) is N-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)C1COc2ccccc2O1.
What is the InChIKey of N-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine?
The InChIKey is JTLWNGBAAXFMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-19-18(14-8-6-7-13(2)11-14)17-12-20-15-9-4-5-10-16(15)21-17/h4-11,17-19H,3,12H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine?
N-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine has a molecular weight of 283.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 65352203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).