6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H11Cl4NO — CID 43758747

IUPAC6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESClc1ccc(NC2CCOc3c(Cl)cc(Cl)cc32)c(Cl)c1
InChIInChI=1S/C15H11Cl4NO/c16-8-1-2-14(11(18)6-8)20-13-3-4-21-15-10(13)5-9(17)7-12(15)19/h1-2,5-7,13,20H,3-4H2
InChIKeyYLSPPOXZMHCNSK-UHFFFAOYSA-N
MW363.07 g/mol
LogP6.24
Rot. Bonds2

About 6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine

6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43758747) has the molecular formula C15H11Cl4NO and a molecular weight of 363.07 g/mol. Its IUPAC name is 6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43758747
Molecular FormulaC15H11Cl4NO
Molecular Weight363.07 g/mol
Exact Mass360.96
IUPAC Name6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESClc1ccc(NC2CCOc3c(Cl)cc(Cl)cc32)c(Cl)c1
InChIInChI=1S/C15H11Cl4NO/c16-8-1-2-14(11(18)6-8)20-13-3-4-21-15-10(13)5-9(17)7-12(15)19/h1-2,5-7,13,20H,3-4H2
InChIKeyYLSPPOXZMHCNSK-UHFFFAOYSA-N
XLogP6.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.07
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43785265
6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 63477888
6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43762220
6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43755657
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 115728526
N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-5-methylpyridin-3-amine
CID 107584754
6,8-dichloro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769334
3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol
CID 103788042
6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103905846
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-ethylpropane-1,3-diol
CID 103935764
6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63456363

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 43758747) is 6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine is Clc1ccc(NC2CCOc3c(Cl)cc(Cl)cc32)c(Cl)c1.
What is the InChIKey of 6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YLSPPOXZMHCNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl4NO/c16-8-1-2-14(11(18)6-8)20-13-3-4-21-15-10(13)5-9(17)7-12(15)19/h1-2,5-7,13,20H,3-4H2.
What are the key properties of 6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 363.07 g/mol, XLogP of 6.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43758747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).