N-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine

C16H18BrNO — CID 54352349

IUPACN-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine
SMILESC=CCN(CCc1ccc(Br)cc1)Cc1ccco1
InChIInChI=1S/C16H18BrNO/c1-2-10-18(13-16-4-3-12-19-16)11-9-14-5-7-15(17)8-6-14/h2-8,12H,1,9-11,13H2
InChIKeyUGQVCOSLJSJIGB-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.27
Rot. Bonds7

About N-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine

N-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine (PubChem CID 54352349) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine
PubChem CID54352349
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC NameN-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine
SMILESC=CCN(CCc1ccc(Br)cc1)Cc1ccco1
InChIInChI=1S/C16H18BrNO/c1-2-10-18(13-16-4-3-12-19-16)11-9-14-5-7-15(17)8-6-14/h2-8,12H,1,9-11,13H2
InChIKeyUGQVCOSLJSJIGB-UHFFFAOYSA-N
XLogP4.27
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine (CID 54352349) is N-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine is C=CCN(CCc1ccc(Br)cc1)Cc1ccco1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is UGQVCOSLJSJIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-2-10-18(13-16-4-3-12-19-16)11-9-14-5-7-15(17)8-6-14/h2-8,12H,1,9-11,13H2.
What are the key properties of N-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine?
N-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 320.23 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 54352349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).