(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide

C12H17BrN2O — CID 103740453

IUPAC(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-8(15-9(2)12(16)14-3)10-4-6-11(13)7-5-10/h4-9,15H,1-3H3,(H,14,16)/t8?,9-/m1/s1
InChIKeyRRXRAUZDZVPEGT-YGPZHTELSA-N
MW285.19 g/mol
LogP2.23
Rot. Bonds4

About (2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide

(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide (PubChem CID 103740453) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is (2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide
PubChem CID103740453
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-8(15-9(2)12(16)14-3)10-4-6-11(13)7-5-10/h4-9,15H,1-3H3,(H,14,16)/t8?,9-/m1/s1
InChIKeyRRXRAUZDZVPEGT-YGPZHTELSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81359398
2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 60654137
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81360045
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
CID 81360050
2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide
CID 60673174
(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-methylpropanamide
CID 8643427
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-carbamoylpropanamide
CID 81360131
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
CID 81359950
2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide
CID 60674323
2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide
CID 54950521

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide (CID 103740453) is (2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide is CNC(=O)[C@@H](C)NC(C)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide?
The InChIKey is RRXRAUZDZVPEGT-YGPZHTELSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8(15-9(2)12(16)14-3)10-4-6-11(13)7-5-10/h4-9,15H,1-3H3,(H,14,16)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide?
(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide has a molecular weight of 285.19 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide is sourced from PubChem (CID 103740453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).