(4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H13BrClNO — CID 104946067

IUPAC(4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2cc(Cl)ccc2Br)Oc2ccccc21
InChIInChI=1S/C15H13BrClNO/c16-12-6-5-9(17)7-11(12)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-7,13,15H,8,18H2/t13-,15?/m1/s1
InChIKeyVJZHGPBUWRJHBT-AFYYWNPRSA-N
MW338.63 g/mol
LogP4.63
Rot. Bonds1

About (4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946067) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is (4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946067
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name(4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2cc(Cl)ccc2Br)Oc2ccccc21
InChIInChI=1S/C15H13BrClNO/c16-12-6-5-9(17)7-11(12)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-7,13,15H,8,18H2/t13-,15?/m1/s1
InChIKeyVJZHGPBUWRJHBT-AFYYWNPRSA-N
XLogP4.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709986
(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946116
2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715019
(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945093
(4R)-6-bromo-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947405
2-(4-bromo-3-methylphenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708916
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708908
(4R)-2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104944930
(4R)-6-chloro-2-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104980323
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 102846110
(4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944920
(4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946930

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104946067) is (4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(c2cc(Cl)ccc2Br)Oc2ccccc21.
What is the InChIKey of (4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VJZHGPBUWRJHBT-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H13BrClNO/c16-12-6-5-9(17)7-11(12)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-7,13,15H,8,18H2/t13-,15?/m1/s1.
What are the key properties of (4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 338.63 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).