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

C16H15BrClNO — CID 103478175

IUPACN-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1COc2ccccc2C1Nc1cccc(Cl)c1Br
InChIInChI=1S/C16H15BrClNO/c1-10-9-20-14-8-3-2-5-11(14)16(10)19-13-7-4-6-12(18)15(13)17/h2-8,10,16,19H,9H2,1H3
InChIKeyNBAXBMWCPKSTFX-UHFFFAOYSA-N
MW352.66 g/mol
LogP5.28
Rot. Bonds2

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

N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103478175) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID103478175
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC NameN-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1COc2ccccc2C1Nc1cccc(Cl)c1Br
InChIInChI=1S/C16H15BrClNO/c1-10-9-20-14-8-3-2-5-11(14)16(10)19-13-7-4-6-12(18)15(13)17/h2-8,10,16,19H,9H2,1H3
InChIKeyNBAXBMWCPKSTFX-UHFFFAOYSA-N
XLogP5.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.66
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523757
2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 104523960
N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524377
N-(3-bromo-4-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524166
N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104523967
3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine
CID 104834591
N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524228
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
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 106143445
N-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine
CID 103478032

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine (CID 103478175) is N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine is CC1COc2ccccc2C1Nc1cccc(Cl)c1Br.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NBAXBMWCPKSTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-10-9-20-14-8-3-2-5-11(14)16(10)19-13-7-4-6-12(18)15(13)17/h2-8,10,16,19H,9H2,1H3.
What are the key properties of N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 352.66 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103478175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).