[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium

C19H26NO2+ — CID 2514040

IUPAC[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium
SMILESCc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2C)c1
InChIInChI=1S/C19H25NO2/c1-14-7-6-9-18(11-14)22-13-17(21)12-20-16(3)19-10-5-4-8-15(19)2/h4-11,16-17,20-21H,12-13H2,1-3H3/p+1/t16-,17+/m1/s1
InChIKeyHZLNHHAVICFFEX-SJORKVTESA-O
MW300.42 g/mol
LogP2.37
Rot. Bonds7

About [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium

[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium (PubChem CID 2514040) has the molecular formula C19H26NO2+ and a molecular weight of 300.42 g/mol. Its IUPAC name is [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium.

Molecular Properties

Compound Name[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium
PubChem CID2514040
Molecular FormulaC19H26NO2+
Molecular Weight300.42 g/mol
Exact Mass300.20
IUPAC Name[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium
SMILESCc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2C)c1
InChIInChI=1S/C19H25NO2/c1-14-7-6-9-18(11-14)22-13-17(21)12-20-16(3)19-10-5-4-8-15(19)2/h4-11,16-17,20-21H,12-13H2,1-3H3/p+1/t16-,17+/m1/s1
InChIKeyHZLNHHAVICFFEX-SJORKVTESA-O
XLogP2.37
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenoxy)butan-2-ol
CID 13089920
[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-[(1R)-1-phenylethyl]azanium
CID 7733701
[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium
CID 6988816
2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide
CID 111110453
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
(2S)-1-(3-methylphenoxy)-3-(4-phenylpiperazine-1,4-diium-1-yl)propan-2-ol
CID 6992895
[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 7721871
2-(3,4-dimethoxyphenyl)ethyl-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]azanium
CID 36690918
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol
CID 117246130

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium?
The IUPAC name of [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium (CID 2514040) is [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium.
What is the SMILES notation for [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium?
The canonical SMILES for [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium is Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2C)c1.
What is the InChIKey of [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium?
The InChIKey is HZLNHHAVICFFEX-SJORKVTESA-O. The full InChI is InChI=1S/C19H25NO2/c1-14-7-6-9-18(11-14)22-13-17(21)12-20-16(3)19-10-5-4-8-15(19)2/h4-11,16-17,20-21H,12-13H2,1-3H3/p+1/t16-,17+/m1/s1.
What are the key properties of [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium?
[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium has a molecular weight of 300.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(1R)-1-(2-methylphenyl)ethyl]azanium is sourced from PubChem (CID 2514040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).