2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine

C14H16BrNO2 — CID 63216997

IUPAC2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CN)Oc2ccc(Br)cc2C)o1
InChIInChI=1S/C14H16BrNO2/c1-9-7-11(15)4-6-12(9)18-14(8-16)13-5-3-10(2)17-13/h3-7,14H,8,16H2,1-2H3
InChIKeyRSIPVCKPVZHXKF-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.74
Rot. Bonds4

About 2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine

2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine (PubChem CID 63216997) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine
PubChem CID63216997
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CN)Oc2ccc(Br)cc2C)o1
InChIInChI=1S/C14H16BrNO2/c1-9-7-11(15)4-6-12(9)18-14(8-16)13-5-3-10(2)17-13/h3-7,14H,8,16H2,1-2H3
InChIKeyRSIPVCKPVZHXKF-UHFFFAOYSA-N
XLogP3.74
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine (CID 63216997) is 2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(CN)Oc2ccc(Br)cc2C)o1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine?
The InChIKey is RSIPVCKPVZHXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-9-7-11(15)4-6-12(9)18-14(8-16)13-5-3-10(2)17-13/h3-7,14H,8,16H2,1-2H3.
What are the key properties of 2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine?
2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine has a molecular weight of 310.19 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 63216997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).