2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline

C16H15BrFNO — CID 107635746

IUPAC2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline
SMILESFc1ccc(Br)c(NCC2CCOc3ccccc32)c1
InChIInChI=1S/C16H15BrFNO/c17-14-6-5-12(18)9-15(14)19-10-11-7-8-20-16-4-2-1-3-13(11)16/h1-6,9,11,19H,7-8,10H2
InChIKeyGXRHLZDGLXGAOI-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.57
Rot. Bonds3

About 2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline

2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline (PubChem CID 107635746) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline
PubChem CID107635746
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline
SMILESFc1ccc(Br)c(NCC2CCOc3ccccc32)c1
InChIInChI=1S/C16H15BrFNO/c17-14-6-5-12(18)9-15(14)19-10-11-7-8-20-16-4-2-1-3-13(11)16/h1-6,9,11,19H,7-8,10H2
InChIKeyGXRHLZDGLXGAOI-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline
CID 115756557
N-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 61015894
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,5-difluoroaniline
CID 107611014
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244
4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline
CID 104768223
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5-fluoroaniline
CID 107632697
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodoaniline
CID 104768255
5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one
CID 133293414
4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene
CID 104771979
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline?
The IUPAC name of 2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline (CID 107635746) is 2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline.
What is the SMILES notation for 2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline?
The canonical SMILES for 2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline is Fc1ccc(Br)c(NCC2CCOc3ccccc32)c1.
What is the InChIKey of 2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline?
The InChIKey is GXRHLZDGLXGAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-14-6-5-12(18)9-15(14)19-10-11-7-8-20-16-4-2-1-3-13(11)16/h1-6,9,11,19H,7-8,10H2.
What are the key properties of 2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline?
2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline has a molecular weight of 336.20 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline is sourced from PubChem (CID 107635746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).