5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol

C16H16BrNO2 — CID 107700924

IUPAC5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol
SMILESCc1ccc(NC2CCOc3ccc(Br)cc32)cc1O
InChIInChI=1S/C16H16BrNO2/c1-10-2-4-12(9-15(10)19)18-14-6-7-20-16-5-3-11(17)8-13(14)16/h2-5,8-9,14,18-19H,6-7H2,1H3
InChIKeyLHNZXRLRIZMYJL-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.40
Rot. Bonds2

About 5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol

5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol (PubChem CID 107700924) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol.

Molecular Properties

Compound Name5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol
PubChem CID107700924
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol
SMILESCc1ccc(NC2CCOc3ccc(Br)cc32)cc1O
InChIInChI=1S/C16H16BrNO2/c1-10-2-4-12(9-15(10)19)18-14-6-7-20-16-5-3-11(17)8-13(14)16/h2-5,8-9,14,18-19H,6-7H2,1H3
InChIKeyLHNZXRLRIZMYJL-UHFFFAOYSA-N
XLogP4.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol
CID 107678719
6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43787895
6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43765929
6-bromo-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43785841
5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-fluorobenzonitrile
CID 62316798
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605
6-bromo-N-(3-ethynylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43755539
2-[4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]phenyl]acetonitrile
CID 43786452
6-bromo-N-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 62871864
6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43777607
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

Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol?
The IUPAC name of 5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol (CID 107700924) is 5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol.
What is the SMILES notation for 5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol?
The canonical SMILES for 5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol is Cc1ccc(NC2CCOc3ccc(Br)cc32)cc1O.
What is the InChIKey of 5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol?
The InChIKey is LHNZXRLRIZMYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-10-2-4-12(9-15(10)19)18-14-6-7-20-16-5-3-11(17)8-13(14)16/h2-5,8-9,14,18-19H,6-7H2,1H3.
What are the key properties of 5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol?
5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol has a molecular weight of 334.21 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol is sourced from PubChem (CID 107700924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).