3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol

C10H15ClN2O2 — CID 66169047

IUPAC3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1ccc(N)cc1Cl
InChIInChI=1S/C10H15ClN2O2/c1-10(15,6-14)5-13-9-3-2-7(12)4-8(9)11/h2-4,13-15H,5-6,12H2,1H3
InChIKeyAIQYWWJXEJUNBL-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.08
Rot. Bonds4

About 3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol

3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol (PubChem CID 66169047) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol
PubChem CID66169047
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1ccc(N)cc1Cl
InChIInChI=1S/C10H15ClN2O2/c1-10(15,6-14)5-13-9-3-2-7(12)4-8(9)11/h2-4,13-15H,5-6,12H2,1H3
InChIKeyAIQYWWJXEJUNBL-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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Related Compounds

5-amino-2-[(2,3-dihydroxy-2-methylpropyl)amino]benzonitrile
CID 66168200
2-chloro-1-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzene-1,4-diamine
CID 28903125
3-[2-amino-4-(trifluoromethyl)anilino]-2-methylpropane-1,2-diol
CID 66169467
2-chloro-1-N-propylbenzene-1,4-diamine
CID 28902196
3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol
CID 81413768
3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol
CID 106750959
3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol
CID 66169895
2-chloro-1-N-prop-2-enylbenzene-1,4-diamine
CID 15219986
3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol
CID 23104306
3-(4-amino-2-chloroanilino)propane-1,2-diol
CID 66176348
3-(2-amino-4-methylsulfonylanilino)-2-methylpropane-1,2-diol
CID 66170096
3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 102758876

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol?
The IUPAC name of 3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol (CID 66169047) is 3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol?
The canonical SMILES for 3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol is CC(O)(CO)CNc1ccc(N)cc1Cl.
What is the InChIKey of 3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol?
The InChIKey is AIQYWWJXEJUNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-10(15,6-14)5-13-9-3-2-7(12)4-8(9)11/h2-4,13-15H,5-6,12H2,1H3.
What are the key properties of 3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol?
3-(4-amino-2-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-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol is sourced from PubChem (CID 66169047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).