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

C16H15BrClNO2 — CID 43689315

IUPACN-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1c(Br)cc(Cl)cc1NC1CCOc2ccccc21
InChIInChI=1S/C16H15BrClNO2/c1-20-16-12(17)8-10(18)9-14(16)19-13-6-7-21-15-5-3-2-4-11(13)15/h2-5,8-9,13,19H,6-7H2,1H3
InChIKeyWQGIDCFYFYPFFZ-UHFFFAOYSA-N
MW368.66 g/mol
LogP5.05
Rot. Bonds3

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

N-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43689315) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43689315
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC NameN-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1c(Br)cc(Cl)cc1NC1CCOc2ccccc21
InChIInChI=1S/C16H15BrClNO2/c1-20-16-12(17)8-10(18)9-14(16)19-13-6-7-21-15-5-3-2-4-11(13)15/h2-5,8-9,13,19H,6-7H2,1H3
InChIKeyWQGIDCFYFYPFFZ-UHFFFAOYSA-N
XLogP5.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.66
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 103936660
4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine
CID 62367304
N-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 82860676
N-(3-bromo-5-chloro-2-methoxyphenyl)cyclooctanamine
CID 43689268
N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43763115
2-(3,4-dihydro-2H-chromen-4-ylamino)-4-methoxybenzonitrile
CID 81296353
N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43733696
4-bromo-1-N-(3,4-dihydro-2H-chromen-4-yl)-5-fluorobenzene-1,2-diamine
CID 66112506
N-(4-bromo-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107571684
3-bromo-4-(3,4-dihydro-2H-chromen-4-ylamino)benzenecarbothioamide
CID 82786498
5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
CID 108774229
N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43789312

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 43689315) is N-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine is COc1c(Br)cc(Cl)cc1NC1CCOc2ccccc21.
What is the InChIKey of N-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WQGIDCFYFYPFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-20-16-12(17)8-10(18)9-14(16)19-13-6-7-21-15-5-3-2-4-11(13)15/h2-5,8-9,13,19H,6-7H2,1H3.
What are the key properties of N-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
N-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 368.66 g/mol, XLogP of 5.05, 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-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43689315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).