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

C16H16BrNO2 — CID 82860676

IUPACN-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cc(Br)cc(NC2CCOc3ccccc32)c1
InChIInChI=1S/C16H16BrNO2/c1-19-13-9-11(17)8-12(10-13)18-15-6-7-20-16-5-3-2-4-14(15)16/h2-5,8-10,15,18H,6-7H2,1H3
InChIKeyOQYXGOJSHLCNIT-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.39
Rot. Bonds3

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

N-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82860676) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82860676
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cc(Br)cc(NC2CCOc3ccccc32)c1
InChIInChI=1S/C16H16BrNO2/c1-19-13-9-11(17)8-12(10-13)18-15-6-7-20-16-5-3-2-4-14(15)16/h2-5,8-10,15,18H,6-7H2,1H3
InChIKeyOQYXGOJSHLCNIT-UHFFFAOYSA-N
XLogP4.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107571684
N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43194572
2-(3,4-dihydro-2H-chromen-4-ylamino)-4-methoxybenzonitrile
CID 81296353
N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine
CID 114600554
N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43693706
N-(3,4-dihydro-2H-chromen-4-yl)-5-methylpyridin-3-amine
CID 103932297
N-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43689315
N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43789312
6-bromo-N-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 62871864
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81367470
3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile
CID 43762546
N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43765168

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 82860676) is N-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine is COc1cc(Br)cc(NC2CCOc3ccccc32)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OQYXGOJSHLCNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-19-13-9-11(17)8-12(10-13)18-15-6-7-20-16-5-3-2-4-14(15)16/h2-5,8-10,15,18H,6-7H2,1H3.
What are the key properties of N-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
N-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 334.21 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82860676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).