N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H14BrNO — CID 43194572

IUPACN-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESBrc1ccc(NC2CCOc3ccccc32)cc1
InChIInChI=1S/C15H14BrNO/c16-11-5-7-12(8-6-11)17-14-9-10-18-15-4-2-1-3-13(14)15/h1-8,14,17H,9-10H2
InChIKeyLAOLQDUOFHBNAB-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.38
Rot. Bonds2

About N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine

N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43194572) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43194572
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC NameN-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESBrc1ccc(NC2CCOc3ccccc32)cc1
InChIInChI=1S/C15H14BrNO/c16-11-5-7-12(8-6-11)17-14-9-10-18-15-4-2-1-3-13(14)15/h1-8,14,17H,9-10H2
InChIKeyLAOLQDUOFHBNAB-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107571684
1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone
CID 115577788
N-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 82860676
N-(3,4-dihydro-2H-chromen-4-yl)-5-methylpyridin-3-amine
CID 103932297
2-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenoxy]acetonitrile
CID 43203323
5-bromo-2-(3,4-dihydro-2H-chromen-4-ylamino)benzonitrile
CID 82707909
2-amino-5-(3,4-dihydro-2H-chromen-4-ylamino)benzoic acid
CID 62365403
6-bromo-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43785841
N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43347570
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
2-[4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]phenyl]acetonitrile
CID 43786452
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 43194572) is N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine is Brc1ccc(NC2CCOc3ccccc32)cc1.
What is the InChIKey of N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LAOLQDUOFHBNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-11-5-7-12(8-6-11)17-14-9-10-18-15-4-2-1-3-13(14)15/h1-8,14,17H,9-10H2.
What are the key properties of N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine?
N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 304.19 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43194572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).