2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol

C20H24N2O3 — CID 2146004

IUPAC2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H24N2O3/c1-20(2,13-23)21-11-14(24)12-25-22-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,21,23-24H,11-13H2,1-2H3/t14-/m0/s1
InChIKeyAJOYMMGQJQLABI-AWEZNQCLSA-N
MW340.42 g/mol
LogP2.16
Rot. Bonds7

About 2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol

2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol (PubChem CID 2146004) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol
PubChem CID2146004
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H24N2O3/c1-20(2,13-23)21-11-14(24)12-25-22-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,21,23-24H,11-13H2,1-2H3/t14-/m0/s1
InChIKeyAJOYMMGQJQLABI-AWEZNQCLSA-N
XLogP2.16
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol
CID 2146002
1-[(Z)-(2-bromofluoren-9-ylidene)amino]oxy-3-(tert-butylamino)propan-2-ol;(Z)-but-2-enedioic acid
CID 90679588
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
CID 13104426
(2R)-2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]butanedioic acid
CID 2147192
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 44785140
methyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate
CID 11748451
1-(3,5-dimethylpiperidin-1-yl)-3-(fluoren-9-ylideneamino)oxypropan-2-ol
CID 16896476
(2S)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-(fluoren-9-ylideneamino)oxypropan-2-ol
CID 7730801
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619
(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-(fluoren-9-ylideneamino)oxypropan-2-ol
CID 7730793
(2S)-2-[[(2R)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]azaniumyl]propanoate
CID 2147181
hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride
CID 67107982

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol (CID 2146004) is 2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol is CC(C)(CO)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol?
The InChIKey is AJOYMMGQJQLABI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,13-23)21-11-14(24)12-25-22-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,21,23-24H,11-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol?
2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol has a molecular weight of 340.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 2146004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).