(2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol

C13H21NO3 — CID 3034006

💊View drug profile → levomoprolol
IUPAC(2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCOc1ccccc1OC[C@@H](O)CNC(C)C
InChIInChI=1S/C13H21NO3/c1-10(2)14-8-11(15)9-17-13-7-5-4-6-12(13)16-3/h4-7,10-11,14-15H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyLFTFGCDECFPSQD-NSHDSACASA-N
MW239.31 g/mol
LogP1.43
Rot. Bonds7

About (2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol

(2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 3034006) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID3034006
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCOc1ccccc1OC[C@@H](O)CNC(C)C
InChIInChI=1S/C13H21NO3/c1-10(2)14-8-11(15)9-17-13-7-5-4-6-12(13)16-3/h4-7,10-11,14-15H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyLFTFGCDECFPSQD-NSHDSACASA-N
XLogP1.43
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Alprenolol
CID 2119
Metoprolol
CID 4171
Oxprenolol
CID 4631
Viloxazine
CID 5666
Viloxazine Hydrochloride
CID 71424
Toliprolol
CID 18047
Oxprenolol Hydrochloride
CID 71172
Alprenolol Hydrochloride
CID 66368
Alprenolol, (S)-
CID 204665
O-Demethylmetoprolol
CID 162181
H-9/64
CID 3123920
2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)-
CID 203685

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol (CID 3034006) is (2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol is COc1ccccc1OC[C@@H](O)CNC(C)C.
What is the InChIKey of (2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is LFTFGCDECFPSQD-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(2)14-8-11(15)9-17-13-7-5-4-6-12(13)16-3/h4-7,10-11,14-15H,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
(2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 239.31 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 3034006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).