2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide

C13H19BrN2O — CID 97334749

IUPAC2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide
SMILESCC[C@H](NCC(=O)N(C)C)c1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-4-12(15-9-13(17)16(2)3)10-7-5-6-8-11(10)14/h5-8,12,15H,4,9H2,1-3H3/t12-/m0/s1
InChIKeyUCJIMRNJENGHIB-LBPRGKRZSA-N
MW299.21 g/mol
LogP2.58
Rot. Bonds5

About 2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide

2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide (PubChem CID 97334749) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide
PubChem CID97334749
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide
SMILESCC[C@H](NCC(=O)N(C)C)c1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-4-12(15-9-13(17)16(2)3)10-7-5-6-8-11(10)14/h5-8,12,15H,4,9H2,1-3H3/t12-/m0/s1
InChIKeyUCJIMRNJENGHIB-LBPRGKRZSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide (CID 97334749) is 2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide is CC[C@H](NCC(=O)N(C)C)c1ccccc1Br.
What is the InChIKey of 2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide?
The InChIKey is UCJIMRNJENGHIB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-4-12(15-9-13(17)16(2)3)10-7-5-6-8-11(10)14/h5-8,12,15H,4,9H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide?
2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide has a molecular weight of 299.21 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 97334749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).