(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol

C14H16N2O2 — CID 166060261

IUPAC(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol
SMILESNc1ccccc1[C@H](O)[C@@H](O)c1ccccc1N
InChIInChI=1S/C14H16N2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8,13-14,17-18H,15-16H2/t13-,14-/m0/s1
InChIKeyVNRYBZHRNXMEOK-KBPBESRZSA-N
MW244.29 g/mol
LogP1.62
Rot. Bonds3

About (1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol

(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol (PubChem CID 166060261) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol
PubChem CID166060261
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol
SMILESNc1ccccc1[C@H](O)[C@@H](O)c1ccccc1N
InChIInChI=1S/C14H16N2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8,13-14,17-18H,15-16H2/t13-,14-/m0/s1
InChIKeyVNRYBZHRNXMEOK-KBPBESRZSA-N
XLogP1.62
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-2-methylpropan-1-ol
CID 64834180
(1S,2S)-1-(2-aminophenyl)propane-1,2-diol
CID 54485712
(1S)-1-(2-aminophenyl)ethanol
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(2S,3S)-3-(2-aminophenyl)butan-2-ol
CID 131028904
(1S,2R)-2-(2-aminophenyl)-1-phenylpropan-1-ol
CID 23726159
(2S)-2-(2-aminophenyl)-2-hydroxyacetamide
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2-amino-6-[bis(2-aminophenyl)methyl]phenol
CID 18365826
2-[amino(bromo)methyl]aniline
CID 174846455
(S)-(2-aminophenyl)-(4-methylphenyl)methanol
CID 40526253
1-(2-aminophenyl)-1-iodo-3-methylbutan-2-ol
CID 129174808
N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
CID 43297755
2-(1-aminoethyl)aniline;sulfuric acid
CID 67830169

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol?
The IUPAC name of (1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol (CID 166060261) is (1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol.
What is the SMILES notation for (1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol?
The canonical SMILES for (1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol is Nc1ccccc1[C@H](O)[C@@H](O)c1ccccc1N.
What is the InChIKey of (1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol?
The InChIKey is VNRYBZHRNXMEOK-KBPBESRZSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8,13-14,17-18H,15-16H2/t13-,14-/m0/s1.
What are the key properties of (1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol?
(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol has a molecular weight of 244.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol is sourced from PubChem (CID 166060261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).