3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol

C10H15ClN2O2 — CID 66169895

IUPAC3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1c(N)cccc1Cl
InChIInChI=1S/C10H15ClN2O2/c1-10(15,6-14)5-13-9-7(11)3-2-4-8(9)12/h2-4,13-15H,5-6,12H2,1H3
InChIKeyWUIBQVPQPRQKNB-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.08
Rot. Bonds4

About 3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol

3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol (PubChem CID 66169895) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol
PubChem CID66169895
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1c(N)cccc1Cl
InChIInChI=1S/C10H15ClN2O2/c1-10(15,6-14)5-13-9-7(11)3-2-4-8(9)12/h2-4,13-15H,5-6,12H2,1H3
InChIKeyWUIBQVPQPRQKNB-UHFFFAOYSA-N
XLogP1.08
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol?
The IUPAC name of 3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol (CID 66169895) is 3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol?
The canonical SMILES for 3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol is CC(O)(CO)CNc1c(N)cccc1Cl.
What is the InChIKey of 3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol?
The InChIKey is WUIBQVPQPRQKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-10(15,6-14)5-13-9-7(11)3-2-4-8(9)12/h2-4,13-15H,5-6,12H2,1H3.
What are the key properties of 3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol?
3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol has a molecular weight of 230.69 g/mol, XLogP of 1.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol is sourced from PubChem (CID 66169895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).