[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium

C16H27ClNO2+ — CID 7830770

IUPAC[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium
SMILESCC(C)[NH+](C[C@@H](O)COCc1ccccc1Cl)C(C)C
InChIInChI=1S/C16H26ClNO2/c1-12(2)18(13(3)4)9-15(19)11-20-10-14-7-5-6-8-16(14)17/h5-8,12-13,15,19H,9-11H2,1-4H3/p+1/t15-/m1/s1
InChIKeyYINUQJDQMVSQHM-OAHLLOKOSA-O
MW300.85 g/mol
LogP1.92
Rot. Bonds8

About [(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium

[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium (PubChem CID 7830770) has the molecular formula C16H27ClNO2+ and a molecular weight of 300.85 g/mol. Its IUPAC name is [(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium.

Molecular Properties

Compound Name[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium
PubChem CID7830770
Molecular FormulaC16H27ClNO2+
Molecular Weight300.85 g/mol
Exact Mass300.17
IUPAC Name[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium
SMILESCC(C)[NH+](C[C@@H](O)COCc1ccccc1Cl)C(C)C
InChIInChI=1S/C16H26ClNO2/c1-12(2)18(13(3)4)9-15(19)11-20-10-14-7-5-6-8-16(14)17/h5-8,12-13,15,19H,9-11H2,1-4H3/p+1/t15-/m1/s1
InChIKeyYINUQJDQMVSQHM-OAHLLOKOSA-O
XLogP1.92
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol
CID 110909172
1-[(2-chlorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469297
1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 60633320
1-[(2-chlorophenyl)methoxy]-3-[(1-methoxy-3-methylbutan-2-yl)amino]propan-2-ol
CID 65049569
1-[(2-chlorophenyl)methoxy]-5-methylhexane-2,5-diol
CID 70569257
(2S)-1-[(2-chlorophenyl)methoxy]-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol
CID 2124096
methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
CID 61499471
3-[(2-chlorophenyl)methoxy]-2-methylpropanethioamide
CID 43368486
1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol
CID 115325367
1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616799
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 2118266

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium?
The IUPAC name of [(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium (CID 7830770) is [(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium.
What is the SMILES notation for [(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium?
The canonical SMILES for [(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium is CC(C)[NH+](C[C@@H](O)COCc1ccccc1Cl)C(C)C.
What is the InChIKey of [(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium?
The InChIKey is YINUQJDQMVSQHM-OAHLLOKOSA-O. The full InChI is InChI=1S/C16H26ClNO2/c1-12(2)18(13(3)4)9-15(19)11-20-10-14-7-5-6-8-16(14)17/h5-8,12-13,15,19H,9-11H2,1-4H3/p+1/t15-/m1/s1.
What are the key properties of [(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium?
[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium has a molecular weight of 300.85 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium is sourced from PubChem (CID 7830770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).