N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine

C16H15BrClNO — CID 103792365

IUPACN-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESClc1ccc(Br)cc1CNC1CCOc2ccccc21
InChIInChI=1S/C16H15BrClNO/c17-12-5-6-14(18)11(9-12)10-19-15-7-8-20-16-4-2-1-3-13(15)16/h1-6,9,15,19H,7-8,10H2
InChIKeyMNTYBBPWSGURNO-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.72
Rot. Bonds3

About N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine

N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103792365) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID103792365
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC NameN-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESClc1ccc(Br)cc1CNC1CCOc2ccccc21
InChIInChI=1S/C16H15BrClNO/c17-12-5-6-14(18)11(9-12)10-19-15-7-8-20-16-4-2-1-3-13(15)16/h1-6,9,15,19H,7-8,10H2
InChIKeyMNTYBBPWSGURNO-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 103792365) is N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine is Clc1ccc(Br)cc1CNC1CCOc2ccccc21.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MNTYBBPWSGURNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c17-12-5-6-14(18)11(9-12)10-19-15-7-8-20-16-4-2-1-3-13(15)16/h1-6,9,15,19H,7-8,10H2.
What are the key properties of N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 352.66 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103792365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).