(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine

C16H15BrFNO — CID 79742581

IUPAC(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
SMILESNC(c1cc(Br)ccc1F)C1CCOc2ccccc21
InChIInChI=1S/C16H15BrFNO/c17-10-5-6-14(18)13(9-10)16(19)12-7-8-20-15-4-2-1-3-11(12)15/h1-6,9,12,16H,7-8,19H2
InChIKeyQNZYBJAQLMRXJB-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.15
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine

(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine (PubChem CID 79742581) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
PubChem CID79742581
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
SMILESNC(c1cc(Br)ccc1F)C1CCOc2ccccc21
InChIInChI=1S/C16H15BrFNO/c17-10-5-6-14(18)13(9-10)16(19)12-7-8-20-15-4-2-1-3-11(12)15/h1-6,9,12,16H,7-8,19H2
InChIKeyQNZYBJAQLMRXJB-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 63708815
(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 106762643
3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299189
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 55228205
2-(3-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 79700043
4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63710116
3,4-dihydro-2H-chromen-4-yl(furan-2-yl)methanamine
CID 63710811
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
(5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105011945
1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 114886029
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-3-amine
CID 82962651
1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 79723538

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine (CID 79742581) is (5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine is NC(c1cc(Br)ccc1F)C1CCOc2ccccc21.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine?
The InChIKey is QNZYBJAQLMRXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-10-5-6-14(18)13(9-10)16(19)12-7-8-20-15-4-2-1-3-11(12)15/h1-6,9,12,16H,7-8,19H2.
What are the key properties of (5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine?
(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine has a molecular weight of 336.20 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine is sourced from PubChem (CID 79742581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).