N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine

C16H15BrFNO — CID 104524228

IUPACN-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1COc2ccccc2C1Nc1ccc(Br)c(F)c1
InChIInChI=1S/C16H15BrFNO/c1-10-9-20-15-5-3-2-4-12(15)16(10)19-11-6-7-13(17)14(18)8-11/h2-8,10,16,19H,9H2,1H3
InChIKeyUXMKQJMUMJBERP-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.77
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine

N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104524228) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104524228
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC NameN-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1COc2ccccc2C1Nc1ccc(Br)c(F)c1
InChIInChI=1S/C16H15BrFNO/c1-10-9-20-15-5-3-2-4-12(15)16(10)19-11-6-7-13(17)14(18)8-11/h2-8,10,16,19H,9H2,1H3
InChIKeyUXMKQJMUMJBERP-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 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 ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524166
3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523755
2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol
CID 107700076
N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524377
N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103478175
N-[(1R)-1-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524304
3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523757
N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104523967
N-(4-bromo-3-fluorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 65435149
4-bromo-N-cyclopropyl-3-fluoroaniline
CID 103439274
N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104523924
N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524073

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine (CID 104524228) is N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine is CC1COc2ccccc2C1Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is UXMKQJMUMJBERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-10-9-20-15-5-3-2-4-12(15)16(10)19-11-6-7-13(17)14(18)8-11/h2-8,10,16,19H,9H2,1H3.
What are the key properties of N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 336.20 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104524228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).