[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium

C16H19N2O+ — CID 2138697

IUPAC[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
SMILESC[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C16H18N2O/c1-17-10-12(19)11-18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2-9,12,17,19H,10-11H2,1H3/p+1/t12-/m0/s1
InChIKeyJQBQWSNLDFTYOA-LBPRGKRZSA-O
MW255.34 g/mol
LogP1.35
Rot. Bonds4

About [(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium

[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium (PubChem CID 2138697) has the molecular formula C16H19N2O+ and a molecular weight of 255.34 g/mol. Its IUPAC name is [(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium.

Molecular Properties

Compound Name[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
PubChem CID2138697
Molecular FormulaC16H19N2O+
Molecular Weight255.34 g/mol
Exact Mass255.15
IUPAC Name[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
SMILESC[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C16H18N2O/c1-17-10-12(19)11-18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2-9,12,17,19H,10-11H2,1H3/p+1/t12-/m0/s1
InChIKeyJQBQWSNLDFTYOA-LBPRGKRZSA-O
XLogP1.35
TPSA41.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
CID 6577414
(2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate
CID 2146009
1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol
CID 3610728
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400
(2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol
CID 798463
1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol
CID 70682192
2-amino-3-carbazol-9-ylpropan-1-ol
CID 64810076
(2R)-3-carbazol-9-yl-2-methylpropan-1-ol
CID 54249395
1-carbazol-9-yl-3-(1-phenylethylamino)propan-2-ol
CID 3635355
(2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 1202455

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium?
The IUPAC name of [(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium (CID 2138697) is [(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium.
What is the SMILES notation for [(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium?
The canonical SMILES for [(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium is C[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of [(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium?
The InChIKey is JQBQWSNLDFTYOA-LBPRGKRZSA-O. The full InChI is InChI=1S/C16H18N2O/c1-17-10-12(19)11-18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2-9,12,17,19H,10-11H2,1H3/p+1/t12-/m0/s1.
What are the key properties of [(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium?
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium has a molecular weight of 255.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium is sourced from PubChem (CID 2138697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).