2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide

C14H19BrN2O2 — CID 63051492

IUPAC2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(CCN)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-3-8-17-14(18)10(2)19-13-5-4-11(6-7-16)9-12(13)15/h3-5,9-10H,1,6-8,16H2,2H3,(H,17,18)
InChIKeyXXJTVFZHYXWKHJ-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.02
Rot. Bonds7

About 2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide

2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide (PubChem CID 63051492) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide
PubChem CID63051492
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(CCN)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-3-8-17-14(18)10(2)19-13-5-4-11(6-7-16)9-12(13)15/h3-5,9-10H,1,6-8,16H2,2H3,(H,17,18)
InChIKeyXXJTVFZHYXWKHJ-UHFFFAOYSA-N
XLogP2.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-aminoethyl)-2-bromophenoxy]-N-butylpropanamide
CID 63052000
2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 54931120
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide
CID 60878105
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 61267293
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide
CID 63052140
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107692828
2-[4-(aminomethyl)-2-bromophenoxy]-N-(3-methoxypropyl)propanamide
CID 63046345
2-[4-(2-aminoethyl)-2-bromophenoxy]-1-piperidin-1-ylpropan-1-one
CID 63052674
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 60904983
2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 43324815

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide (CID 63051492) is 2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1ccc(CCN)cc1Br.
What is the InChIKey of 2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide?
The InChIKey is XXJTVFZHYXWKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-3-8-17-14(18)10(2)19-13-5-4-11(6-7-16)9-12(13)15/h3-5,9-10H,1,6-8,16H2,2H3,(H,17,18).
What are the key properties of 2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide?
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide has a molecular weight of 327.22 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide is sourced from PubChem (CID 63051492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).