2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine

C17H18BrNO — CID 114709587

IUPAC2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)C(N)CC(c1ccc(Br)c(C)c1)O2
InChIInChI=1S/C17H18BrNO/c1-10-3-6-16-13(7-10)15(19)9-17(20-16)12-4-5-14(18)11(2)8-12/h3-8,15,17H,9,19H2,1-2H3
InChIKeyAREMLGOEJCVURD-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.59
Rot. Bonds1

About 2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine

2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709587) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709587
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)C(N)CC(c1ccc(Br)c(C)c1)O2
InChIInChI=1S/C17H18BrNO/c1-10-3-6-16-13(7-10)15(19)9-17(20-16)12-4-5-14(18)11(2)8-12/h3-8,15,17H,9,19H2,1-2H3
InChIKeyAREMLGOEJCVURD-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114709587) is 2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1ccc2c(c1)C(N)CC(c1ccc(Br)c(C)c1)O2.
What is the InChIKey of 2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AREMLGOEJCVURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-10-3-6-16-13(7-10)15(19)9-17(20-16)12-4-5-14(18)11(2)8-12/h3-8,15,17H,9,19H2,1-2H3.
What are the key properties of 2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 332.24 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).