(4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H12Cl3NO — CID 104944920

IUPAC(4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2c(Cl)cccc2Cl)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H12Cl3NO/c16-8-4-5-13-9(6-8)12(19)7-14(20-13)15-10(17)2-1-3-11(15)18/h1-6,12,14H,7,19H2/t12-,14?/m1/s1
InChIKeyASYWGNYAMHCLNY-PUODRLBUSA-N
MW328.63 g/mol
LogP5.17
Rot. Bonds1

About (4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104944920) has the molecular formula C15H12Cl3NO and a molecular weight of 328.63 g/mol. Its IUPAC name is (4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104944920
Molecular FormulaC15H12Cl3NO
Molecular Weight328.63 g/mol
Exact Mass327.00
IUPAC Name(4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2c(Cl)cccc2Cl)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H12Cl3NO/c16-8-4-5-13-9(6-8)12(19)7-14(20-13)15-10(17)2-1-3-11(15)18/h1-6,12,14H,7,19H2/t12-,14?/m1/s1
InChIKeyASYWGNYAMHCLNY-PUODRLBUSA-N
XLogP5.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.63
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945093
(4R)-6-chloro-2-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104980323
(4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945891
6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708988
(4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946447
(4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946462
(4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945331
(4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104980311
6-chloro-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709097
6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709986
(4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944424
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708908

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104944920) is (4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(c2c(Cl)cccc2Cl)Oc2ccc(Cl)cc21.
What is the InChIKey of (4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ASYWGNYAMHCLNY-PUODRLBUSA-N. The full InChI is InChI=1S/C15H12Cl3NO/c16-8-4-5-13-9(6-8)12(19)7-14(20-13)15-10(17)2-1-3-11(15)18/h1-6,12,14H,7,19H2/t12-,14?/m1/s1.
What are the key properties of (4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 328.63 g/mol, XLogP of 5.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104944920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).