(E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine

C10H14BrNO — CID 106889701

IUPAC(E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)NC/C=C/c1occc1Br
InChIInChI=1S/C10H14BrNO/c1-8(2)12-6-3-4-10-9(11)5-7-13-10/h3-5,7-8,12H,6H2,1-2H3/b4-3+
InChIKeyJWPMXWTWFGZABD-ONEGZZNKSA-N
MW244.13 g/mol
LogP3.05
Rot. Bonds4

About (E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine

(E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 106889701) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is (E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID106889701
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name(E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)NC/C=C/c1occc1Br
InChIInChI=1S/C10H14BrNO/c1-8(2)12-6-3-4-10-9(11)5-7-13-10/h3-5,7-8,12H,6H2,1-2H3/b4-3+
InChIKeyJWPMXWTWFGZABD-ONEGZZNKSA-N
XLogP3.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of (E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine (CID 106889701) is (E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine is CC(C)NC/C=C/c1occc1Br.
What is the InChIKey of (E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is JWPMXWTWFGZABD-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-8(2)12-6-3-4-10-9(11)5-7-13-10/h3-5,7-8,12H,6H2,1-2H3/b4-3+.
What are the key properties of (E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine?
(E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 244.13 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 106889701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).