(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol

C13H20ClNO3 — CID 2141740

IUPAC(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
SMILESCC[C@H](CO)NC[C@@H](O)COc1ccccc1Cl
InChIInChI=1S/C13H20ClNO3/c1-2-10(8-16)15-7-11(17)9-18-13-6-4-3-5-12(13)14/h3-6,10-11,15-17H,2,7-9H2,1H3/t10-,11-/m1/s1
InChIKeyDBKOPMBQVCNBGL-GHMZBOCLSA-N
MW273.76 g/mol
LogP1.44
Rot. Bonds8

About (2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol

(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol (PubChem CID 2141740) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is (2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
PubChem CID2141740
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Name(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
SMILESCC[C@H](CO)NC[C@@H](O)COc1ccccc1Cl
InChIInChI=1S/C13H20ClNO3/c1-2-10(8-16)15-7-11(17)9-18-13-6-4-3-5-12(13)14/h3-6,10-11,15-17H,2,7-9H2,1H3/t10-,11-/m1/s1
InChIKeyDBKOPMBQVCNBGL-GHMZBOCLSA-N
XLogP1.44
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol with MolForge

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Related Compounds

1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635358
1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
CID 138960082
1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517973
(2S)-2-[[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]amino]butan-1-ol
CID 41474772
[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-[(2R)-1-hydroxybutan-2-yl]azanium
CID 2141739
1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol
CID 62119307
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160245
1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
CID 106190688
(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
1-(2-chlorophenoxy)-3-(1-cyclohexylethylamino)propan-2-ol
CID 62406462

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol (CID 2141740) is (2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol is CC[C@H](CO)NC[C@@H](O)COc1ccccc1Cl.
What is the InChIKey of (2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol?
The InChIKey is DBKOPMBQVCNBGL-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H20ClNO3/c1-2-10(8-16)15-7-11(17)9-18-13-6-4-3-5-12(13)14/h3-6,10-11,15-17H,2,7-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol?
(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol has a molecular weight of 273.76 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol is sourced from PubChem (CID 2141740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).