7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine

C17H18BrNO2 — CID 114709213

IUPAC7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOCc1ccc(C2CC(N)c3ccc(Br)cc3O2)cc1
InChIInChI=1S/C17H18BrNO2/c1-20-10-11-2-4-12(5-3-11)16-9-15(19)14-7-6-13(18)8-17(14)21-16/h2-8,15-16H,9-10,19H2,1H3
InChIKeyAOJDPHDZRXDLPI-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.12
Rot. Bonds3

About 7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine

7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709213) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709213
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOCc1ccc(C2CC(N)c3ccc(Br)cc3O2)cc1
InChIInChI=1S/C17H18BrNO2/c1-20-10-11-2-4-12(5-3-11)16-9-15(19)14-7-6-13(18)8-17(14)21-16/h2-8,15-16H,9-10,19H2,1H3
InChIKeyAOJDPHDZRXDLPI-UHFFFAOYSA-N
XLogP4.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine (CID 114709213) is 7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine is COCc1ccc(C2CC(N)c3ccc(Br)cc3O2)cc1.
What is the InChIKey of 7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AOJDPHDZRXDLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-20-10-11-2-4-12(5-3-11)16-9-15(19)14-7-6-13(18)8-17(14)21-16/h2-8,15-16H,9-10,19H2,1H3.
What are the key properties of 7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine?
7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 348.24 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).