(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol

C13H20ClNO2 — CID 39359453

IUPAC(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNC[C@@H](O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c1-10(2)7-15-8-12(16)9-17-13-5-3-11(14)4-6-13/h3-6,10,12,15-16H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyNJSVNWCRAQLCFJ-GFCCVEGCSA-N
MW257.76 g/mol
LogP2.33
Rot. Bonds7

About (2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol

(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 39359453) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is (2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
PubChem CID39359453
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNC[C@@H](O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c1-10(2)7-15-8-12(16)9-17-13-5-3-11(14)4-6-13/h3-6,10,12,15-16H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyNJSVNWCRAQLCFJ-GFCCVEGCSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 107664435
1-(4-chlorophenoxy)-3-(3,3-dimethylbutylamino)propan-2-ol
CID 115581085
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(but-3-yn-2-ylamino)-3-(4-chlorophenoxy)propan-2-ol
CID 114416810
1-(3-chloro-4-nitrophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 115476090
1-(4-chlorophenoxy)-3-[(2-chlorophenyl)methylamino]propan-2-ol
CID 60635463
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938620
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propane-1,3-diol
CID 65314255
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of (2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol (CID 39359453) is (2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol is CC(C)CNC[C@@H](O)COc1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is NJSVNWCRAQLCFJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-10(2)7-15-8-12(16)9-17-13-5-3-11(14)4-6-13/h3-6,10,12,15-16H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol?
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 39359453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).