[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium

C12H18ClN2O+ — CID 9410215

IUPAC[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
SMILESCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-8(15-9(2)12(16)14-3)10-6-4-5-7-11(10)13/h4-9,15H,1-3H3,(H,14,16)/p+1/t8-,9+/m1/s1
InChIKeyPRVFDTVRMFNACD-BDAKNGLRSA-O
MW241.74 g/mol
LogP1.10
Rot. Bonds4

About [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium

[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium (PubChem CID 9410215) has the molecular formula C12H18ClN2O+ and a molecular weight of 241.74 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
PubChem CID9410215
Molecular FormulaC12H18ClN2O+
Molecular Weight241.74 g/mol
Exact Mass241.11
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
SMILESCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-8(15-9(2)12(16)14-3)10-6-4-5-7-11(10)13/h4-9,15H,1-3H3,(H,14,16)/p+1/t8-,9+/m1/s1
InChIKeyPRVFDTVRMFNACD-BDAKNGLRSA-O
XLogP1.10
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-2-hydroxy-N-methylacetamide
CID 23548439
[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium
CID 9306364
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
CID 9410224
[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9348784
[(1S)-1-(2-chlorophenyl)ethyl]-[(2S)-1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl]azanium
CID 7999065
[(1S)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium
CID 9306614
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890
[(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium
CID 8598858
[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645172
[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645167
[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2R)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645174
[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9307053

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium (CID 9410215) is [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium is CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1Cl.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is PRVFDTVRMFNACD-BDAKNGLRSA-O. The full InChI is InChI=1S/C12H17ClN2O/c1-8(15-9(2)12(16)14-3)10-6-4-5-7-11(10)13/h4-9,15H,1-3H3,(H,14,16)/p+1/t8-,9+/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium?
[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 241.74 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 9410215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).