2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol

C12H17NO2 — CID 90298232

IUPAC2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol
SMILESCc1ccc(/C=C/C(N)(CO)CO)cc1
InChIInChI=1S/C12H17NO2/c1-10-2-4-11(5-3-10)6-7-12(13,8-14)9-15/h2-7,14-15H,8-9,13H2,1H3/b7-6+
InChIKeyRSYVBWDYZRURJA-VOTSOKGWSA-N
MW207.27 g/mol
LogP0.69
Rot. Bonds4

About 2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol

2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol (PubChem CID 90298232) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol
PubChem CID90298232
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol
SMILESCc1ccc(/C=C/C(N)(CO)CO)cc1
InChIInChI=1S/C12H17NO2/c1-10-2-4-11(5-3-10)6-7-12(13,8-14)9-15/h2-7,14-15H,8-9,13H2,1H3/b7-6+
InChIKeyRSYVBWDYZRURJA-VOTSOKGWSA-N
XLogP0.69
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[(E)-2-[4-[4-[(4-fluoro-N-propan-2-ylanilino)methyl]phenyl]phenyl]ethenyl]propane-1,3-diol
CID 66726745
ethyl (E)-2,2-difluoro-4-(4-methylphenyl)but-3-enoate
CID 132937364
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
1-methyl-4-[(E)-3-methyl-1-[4-[(E)-3-methyl-1-(4-methylphenyl)pent-1-en-3-yl]phenyl]pent-1-en-3-yl]benzene
CID 143526426
(E)-2-methyl-5-(4-methylphenyl)pent-4-en-2-ol
CID 177408870
2-[(1R,2S)-2-[(E)-2-(4-methylphenyl)ethenyl]cyclopropyl]ethanol
CID 155815165
(E)-6-(4-methylphenyl)hex-5-en-1-ol
CID 14739740
4-[2-(4-methylphenyl)ethenyl]benzoic acid
CID 617184
1-ethenyl-4-methylbenzene;methanamine
CID 23466173
S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine
CID 143261626
4-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]aniline
CID 89165666

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol?
The IUPAC name of 2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol (CID 90298232) is 2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol.
What is the SMILES notation for 2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol?
The canonical SMILES for 2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol is Cc1ccc(/C=C/C(N)(CO)CO)cc1.
What is the InChIKey of 2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol?
The InChIKey is RSYVBWDYZRURJA-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10-2-4-11(5-3-10)6-7-12(13,8-14)9-15/h2-7,14-15H,8-9,13H2,1H3/b7-6+.
What are the key properties of 2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol?
2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol has a molecular weight of 207.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol is sourced from PubChem (CID 90298232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).