(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol

C13H20ClNO2 — CID 7185787

IUPAC(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)C[C@@H](O)COc1ccccc1Cl
InChIInChI=1S/C13H20ClNO2/c1-3-15(4-2)9-11(16)10-17-13-8-6-5-7-12(13)14/h5-8,11,16H,3-4,9-10H2,1-2H3/t11-/m1/s1
InChIKeyPKMZWJSRKMWZJL-LLVKDONJSA-N
MW257.76 g/mol
LogP2.42
Rot. Bonds7

About (2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol

(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol (PubChem CID 7185787) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is (2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
PubChem CID7185787
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)C[C@@H](O)COc1ccccc1Cl
InChIInChI=1S/C13H20ClNO2/c1-3-15(4-2)9-11(16)10-17-13-8-6-5-7-12(13)14/h5-8,11,16H,3-4,9-10H2,1-2H3/t11-/m1/s1
InChIKeyPKMZWJSRKMWZJL-LLVKDONJSA-N
XLogP2.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol
CID 2914248
1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol
CID 112820795
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol
CID 4618279
(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
CID 2141740
1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol
CID 112768273
N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride
CID 138396832
1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4966118
1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 1353093
(2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 98734889
[(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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol?
The IUPAC name of (2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol (CID 7185787) is (2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol is CCN(CC)C[C@@H](O)COc1ccccc1Cl.
What is the InChIKey of (2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol?
The InChIKey is PKMZWJSRKMWZJL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-3-15(4-2)9-11(16)10-17-13-8-6-5-7-12(13)14/h5-8,11,16H,3-4,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol?
(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 7185787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).