6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine

C17H18BrNO — CID 43765929

IUPAC6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(C)c(NC2CCOc3ccc(Br)cc32)c1
InChIInChI=1S/C17H18BrNO/c1-11-3-4-12(2)16(9-11)19-15-7-8-20-17-6-5-13(18)10-14(15)17/h3-6,9-10,15,19H,7-8H2,1-2H3
InChIKeyHXAPQIIMOITGDR-UHFFFAOYSA-N
MW332.24 g/mol
LogP5.00
Rot. Bonds2

About 6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43765929) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43765929
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(C)c(NC2CCOc3ccc(Br)cc32)c1
InChIInChI=1S/C17H18BrNO/c1-11-3-4-12(2)16(9-11)19-15-7-8-20-17-6-5-13(18)10-14(15)17/h3-6,9-10,15,19H,7-8H2,1-2H3
InChIKeyHXAPQIIMOITGDR-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.24
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43787895
6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43777607
6-bromo-N-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 62871864
5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol
CID 107700924
6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107597702
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
8-bromo-N-(2,4-dimethylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43755767
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
CID 79090045
N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43789312
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605
N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 103936660
N-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43772699

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 43765929) is 6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(C)c(NC2CCOc3ccc(Br)cc32)c1.
What is the InChIKey of 6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HXAPQIIMOITGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-11-3-4-12(2)16(9-11)19-15-7-8-20-17-6-5-13(18)10-14(15)17/h3-6,9-10,15,19H,7-8H2,1-2H3.
What are the key properties of 6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 332.24 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43765929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).