(2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol

C12H18ClNO2 — CID 103906405

IUPAC(2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol
SMILESCOc1ccc(Cl)cc1C(C)NC[C@H](C)O
InChIInChI=1S/C12H18ClNO2/c1-8(15)7-14-9(2)11-6-10(13)4-5-12(11)16-3/h4-6,8-9,14-15H,7H2,1-3H3/t8-,9?/m0/s1
InChIKeyMULPVUKQOYPTKL-IENPIDJESA-N
MW243.73 g/mol
LogP2.38
Rot. Bonds5

About (2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol

(2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol (PubChem CID 103906405) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is (2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol
PubChem CID103906405
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name(2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol
SMILESCOc1ccc(Cl)cc1C(C)NC[C@H](C)O
InChIInChI=1S/C12H18ClNO2/c1-8(15)7-14-9(2)11-6-10(13)4-5-12(11)16-3/h4-6,8-9,14-15H,7H2,1-3H3/t8-,9?/m0/s1
InChIKeyMULPVUKQOYPTKL-IENPIDJESA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol with MolForge

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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
(1R)-2-[[(1R)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229543
(1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229540
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 104546198
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950
(3R)-3-[[[(1R)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]methyl]thiolan-3-ol
CID 97233124
2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol
CID 116863294
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol
CID 130749346
N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 51471617
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol?
The IUPAC name of (2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol (CID 103906405) is (2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol is COc1ccc(Cl)cc1C(C)NC[C@H](C)O.
What is the InChIKey of (2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol?
The InChIKey is MULPVUKQOYPTKL-IENPIDJESA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-8(15)7-14-9(2)11-6-10(13)4-5-12(11)16-3/h4-6,8-9,14-15H,7H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of (2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol?
(2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol has a molecular weight of 243.73 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 103906405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).