(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol

C11H15Cl2NO — CID 93082094

IUPAC(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-7(15)6-14-8(2)10-4-3-9(12)5-11(10)13/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8+/m0/s1
InChIKeyGNBVLBQFQOUTJB-JGVFFNPUSA-N
MW248.15 g/mol
LogP3.02
Rot. Bonds4

About (2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol

(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol (PubChem CID 93082094) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is (2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
PubChem CID93082094
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-7(15)6-14-8(2)10-4-3-9(12)5-11(10)13/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8+/m0/s1
InChIKeyGNBVLBQFQOUTJB-JGVFFNPUSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082097
(2S)-1-[1-(2,5-dichlorophenyl)ethylamino]propan-2-ol
CID 103906527
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235
1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol
CID 63294934
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760939
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine
CID 43095140
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
(2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol
CID 103906405
3-[1-(2,4-dichlorophenyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025241
3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol
CID 103787405
methyl 2-bromo-3-[1-(2,4-dichlorophenyl)ethylamino]propanoate
CID 103233959

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol (CID 93082094) is (2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol is C[C@H](O)CN[C@H](C)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol?
The InChIKey is GNBVLBQFQOUTJB-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-7(15)6-14-8(2)10-4-3-9(12)5-11(10)13/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol?
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol has a molecular weight of 248.15 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 93082094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).