2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine

C17H17Cl2NO — CID 65412417

IUPAC2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)C1CCOc2ccccc21
InChIInChI=1S/C17H17Cl2NO/c18-14-5-3-6-15(19)13(14)10-16(20)11-8-9-21-17-7-2-1-4-12(11)17/h1-7,11,16H,8-10,20H2
InChIKeyHJHXELDZEGSTSM-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.43
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine

2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine (PubChem CID 65412417) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
PubChem CID65412417
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)C1CCOc2ccccc21
InChIInChI=1S/C17H17Cl2NO/c18-14-5-3-6-15(19)13(14)10-16(20)11-8-9-21-17-7-2-1-4-12(11)17/h1-7,11,16H,8-10,20H2
InChIKeyHJHXELDZEGSTSM-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)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

2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 65410661
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63418546
2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 107308166
3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine
CID 65412028
2-(3-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 79700043
1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103032406
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409768
[2-(3-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105233880
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
[2-(5-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105233865
3,4-dihydro-2H-chromen-4-yl(furan-2-yl)methanamine
CID 63710811
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 55228205

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine (CID 65412417) is 2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine is NC(Cc1c(Cl)cccc1Cl)C1CCOc2ccccc21.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine?
The InChIKey is HJHXELDZEGSTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c18-14-5-3-6-15(19)13(14)10-16(20)11-8-9-21-17-7-2-1-4-12(11)17/h1-7,11,16H,8-10,20H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine?
2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine has a molecular weight of 322.24 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine is sourced from PubChem (CID 65412417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).