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

C16H14BrClFNO — CID 106762643

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
SMILESNC(c1ccc(Br)c(Cl)c1F)C1CCOc2ccccc21
InChIInChI=1S/C16H14BrClFNO/c17-12-6-5-11(15(19)14(12)18)16(20)10-7-8-21-13-4-2-1-3-9(10)13/h1-6,10,16H,7-8,20H2
InChIKeyNETRHOVGAKJRKT-UHFFFAOYSA-N
MW370.65 g/mol
LogP4.81
Rot. Bonds2

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

(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine (PubChem CID 106762643) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
PubChem CID106762643
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
SMILESNC(c1ccc(Br)c(Cl)c1F)C1CCOc2ccccc21
InChIInChI=1S/C16H14BrClFNO/c17-12-6-5-11(15(19)14(12)18)16(20)10-7-8-21-13-4-2-1-3-9(10)13/h1-6,10,16H,7-8,20H2
InChIKeyNETRHOVGAKJRKT-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.65
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106762496
(2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 63708815
(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 79742581
(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 106761804
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 55228205
3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299189
7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
CID 106764465
3,4-dihydro-2H-chromen-4-yl(furan-2-yl)methanamine
CID 63710811
4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63710116
(2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol
CID 63709739
(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 106764925
2-(3-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 79700043

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine (CID 106762643) is (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine is NC(c1ccc(Br)c(Cl)c1F)C1CCOc2ccccc21.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine?
The InChIKey is NETRHOVGAKJRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c17-12-6-5-11(15(19)14(12)18)16(20)10-7-8-21-13-4-2-1-3-9(10)13/h1-6,10,16H,7-8,20H2.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine?
(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine has a molecular weight of 370.65 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine is sourced from PubChem (CID 106762643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).