2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide

C14H22BrN3O — CID 55022786

IUPAC2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)C(c1ccccc1Br)C(C)N
InChIInChI=1S/C14H22BrN3O/c1-4-17-13(19)9-18(3)14(10(2)16)11-7-5-6-8-12(11)15/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,19)
InChIKeyOTZJORFYJPLFQS-UHFFFAOYSA-N
MW328.25 g/mol
LogP1.91
Rot. Bonds6

About 2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide

2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide (PubChem CID 55022786) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide
PubChem CID55022786
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)C(c1ccccc1Br)C(C)N
InChIInChI=1S/C14H22BrN3O/c1-4-17-13(19)9-18(3)14(10(2)16)11-7-5-6-8-12(11)15/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,19)
InChIKeyOTZJORFYJPLFQS-UHFFFAOYSA-N
XLogP1.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384269
2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide
CID 60505772
1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine
CID 55023020
2-[[2-amino-1-(2-bromophenyl)propyl]-ethylamino]acetamide
CID 103101294
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315
1-(2-bromophenyl)-1-N-butan-2-yl-1-N-methylpropane-1,2-diamine
CID 55022779
1-(2-bromophenyl)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine
CID 63694266
N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47123169
3-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]propanenitrile
CID 55022343
3-[[2-amino-1-(2-bromophenyl)butyl]-methylamino]-N-methylpropanamide
CID 106914537
2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256511
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide (CID 55022786) is 2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)C(c1ccccc1Br)C(C)N.
What is the InChIKey of 2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide?
The InChIKey is OTZJORFYJPLFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-4-17-13(19)9-18(3)14(10(2)16)11-7-5-6-8-12(11)15/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide?
2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide has a molecular weight of 328.25 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide is sourced from PubChem (CID 55022786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).