(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol

C11H16ClNO2 — CID 40540867

IUPAC(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
SMILESCN(C)C[C@H](O)COc1ccccc1Cl
InChIInChI=1S/C11H16ClNO2/c1-13(2)7-9(14)8-15-11-6-4-3-5-10(11)12/h3-6,9,14H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyDCQJMOLLXNYKCU-VIFPVBQESA-N
MW229.71 g/mol
LogP1.64
Rot. Bonds5

About (2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol

(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol (PubChem CID 40540867) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is (2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
PubChem CID40540867
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
SMILESCN(C)C[C@H](O)COc1ccccc1Cl
InChIInChI=1S/C11H16ClNO2/c1-13(2)7-9(14)8-15-11-6-4-3-5-10(11)12/h3-6,9,14H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyDCQJMOLLXNYKCU-VIFPVBQESA-N
XLogP1.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol
CID 2914248
1-[2-[4-(2-chlorophenyl)butyl]phenoxy]-3-(dimethylamino)propan-2-ol;hydrochloride
CID 19424022
1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol
CID 112768273
1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol
CID 112820795
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106147644
[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium
CID 2286972
1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 112840259
CID 158871625
CID 158871625
1-[4-[(2-chlorophenyl)methylamino]phenoxy]-3-(dimethylamino)propan-2-ol
CID 111336516
1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
CID 16877055
(2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
CID 42588460

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol?
The IUPAC name of (2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol (CID 40540867) is (2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol is CN(C)C[C@H](O)COc1ccccc1Cl.
What is the InChIKey of (2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol?
The InChIKey is DCQJMOLLXNYKCU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-13(2)7-9(14)8-15-11-6-4-3-5-10(11)12/h3-6,9,14H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol?
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol has a molecular weight of 229.71 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 40540867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).