2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide

C12H17BrN2O — CID 43214650

IUPAC2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide
SMILESCC(NCC(=O)N(C)C)c1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-9(14-8-12(16)15(2)3)10-6-4-5-7-11(10)13/h4-7,9,14H,8H2,1-3H3
InChIKeyQEHGKIFRSOTGTC-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.19
Rot. Bonds4

About 2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide

2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide (PubChem CID 43214650) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide
PubChem CID43214650
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide
SMILESCC(NCC(=O)N(C)C)c1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-9(14-8-12(16)15(2)3)10-6-4-5-7-11(10)13/h4-7,9,14H,8H2,1-3H3
InChIKeyQEHGKIFRSOTGTC-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214134
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 81378691
N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
CID 81378591
3-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-methylpropanoic acid
CID 81383114
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81383684
2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
CID 60577056
(E)-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chloro-2-methylprop-2-en-1-amine
CID 106437951
2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913472
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 81378696
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 81378359
N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide
CID 27655078

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide (CID 43214650) is 2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide is CC(NCC(=O)N(C)C)c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide?
The InChIKey is QEHGKIFRSOTGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9(14-8-12(16)15(2)3)10-6-4-5-7-11(10)13/h4-7,9,14H,8H2,1-3H3.
What are the key properties of 2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide?
2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide has a molecular weight of 285.19 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43214650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).