5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine

C11H13Cl2NO — CID 43621790

IUPAC5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CCOc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C11H13Cl2NO/c1-2-14-9-3-4-15-10-6-7(12)5-8(13)11(9)10/h5-6,9,14H,2-4H2,1H3
InChIKeyUWWZEIWBLCACJS-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.43
Rot. Bonds2

About 5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine

5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43621790) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43621790
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CCOc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C11H13Cl2NO/c1-2-14-9-3-4-15-10-6-7(12)5-8(13)11(9)10/h5-6,9,14H,2-4H2,1H3
InChIKeyUWWZEIWBLCACJS-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43512713
6,8-dichloro-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43621794
6-bromo-5,8-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 107659779
4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine
CID 175166675
N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 43512405
5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine
CID 113425605
4-(ethylamino)-3,4-dihydro-2H-chromen-6-ol
CID 105447097
5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine
CID 113425600
7-chloro-N-ethyl-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512033
6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461710
4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 105477435
6-bromo-N-ethyl-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine
CID 115417591

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine (CID 43621790) is 5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine is CCNC1CCOc2cc(Cl)cc(Cl)c21.
What is the InChIKey of 5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is UWWZEIWBLCACJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-2-14-9-3-4-15-10-6-7(12)5-8(13)11(9)10/h5-6,9,14H,2-4H2,1H3.
What are the key properties of 5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 246.14 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43621790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).