methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate

C14H17Cl2NO3 — CID 43787215

IUPACmethyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H17Cl2NO3/c1-14(2,13(18)19-3)17-11-4-5-20-12-9(11)6-8(15)7-10(12)16/h6-7,11,17H,4-5H2,1-3H3
InChIKeyWCHCKBYADONEFR-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.36
Rot. Bonds3

About methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate

methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate (PubChem CID 43787215) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate
PubChem CID43787215
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Namemethyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H17Cl2NO3/c1-14(2,13(18)19-3)17-11-4-5-20-12-9(11)6-8(15)7-10(12)16/h6-7,11,17H,4-5H2,1-3H3
InChIKeyWCHCKBYADONEFR-UHFFFAOYSA-N
XLogP3.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate with MolForge

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Related Compounds

2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-ethylpropane-1,3-diol
CID 103935764
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
CID 43778180
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115708014
6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769607
6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43758423
6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43755657
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]butanoic acid
CID 60782781
N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-5-methylpyridin-3-amine
CID 107584754
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 115920158
2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide
CID 106235366
6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 115728526
6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43758747

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate (CID 43787215) is methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC1CCOc2c(Cl)cc(Cl)cc21.
What is the InChIKey of methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate?
The InChIKey is WCHCKBYADONEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-14(2,13(18)19-3)17-11-4-5-20-12-9(11)6-8(15)7-10(12)16/h6-7,11,17H,4-5H2,1-3H3.
What are the key properties of methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate?
methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate has a molecular weight of 318.20 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 43787215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).