N-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine

C14H18BrN — CID 175002817

IUPACN-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)C(C)c1ccccc1Br
InChIInChI=1S/C14H18BrN/c1-4-10-16(11-5-2)12(3)13-8-6-7-9-14(13)15/h4-9,12H,1-2,10-11H2,3H3
InChIKeyAWGZQHFLVAGQBV-UHFFFAOYSA-N
MW280.21 g/mol
LogP4.18
Rot. Bonds6

About N-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine

N-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 175002817) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID175002817
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC NameN-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)C(C)c1ccccc1Br
InChIInChI=1S/C14H18BrN/c1-4-10-16(11-5-2)12(3)13-8-6-7-9-14(13)15/h4-9,12H,1-2,10-11H2,3H3
InChIKeyAWGZQHFLVAGQBV-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(2-bromophenyl)ethanethiol
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CID 101487414

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine (CID 175002817) is N-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)C(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is AWGZQHFLVAGQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c1-4-10-16(11-5-2)12(3)13-8-6-7-9-14(13)15/h4-9,12H,1-2,10-11H2,3H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
N-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 280.21 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 175002817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).