3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol

C12H18N2O2 — CID 106099631

IUPAC3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ccccc1N
InChIInChI=1S/C12H18N2O2/c1-9-12(15,6-7-16-9)8-14-11-5-3-2-4-10(11)13/h2-5,9,14-15H,6-8,13H2,1H3
InChIKeyVYBUUSQEPPTBFJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.22
Rot. Bonds3

About 3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol

3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol (PubChem CID 106099631) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol
PubChem CID106099631
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ccccc1N
InChIInChI=1S/C12H18N2O2/c1-9-12(15,6-7-16-9)8-14-11-5-3-2-4-10(11)13/h2-5,9,14-15H,6-8,13H2,1H3
InChIKeyVYBUUSQEPPTBFJ-UHFFFAOYSA-N
XLogP1.22
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(3R,4R)-4-(2,2-difluoroethoxy)oxolan-3-yl]benzene-1,2-diamine
CID 176893099
1-(2-Amino-5-fluoroanilino)-3-methoxypropan-2-ol
CID 64286310
1-(2-Amino-3-fluoroanilino)-3-methoxypropan-2-ol
CID 64286517
1-(2-Amino-4-fluoroanilino)-3-methoxypropan-2-ol
CID 64286922
3-(2-Amino-4-fluoroanilino)-2-methylpropane-1,2-diol
CID 66168201
3-(2-Amino-3-fluoroanilino)-2-methylpropane-1,2-diol
CID 66169262
3-(2-Amino-5-fluoroanilino)-2-methylpropane-1,2-diol
CID 66170945
4-[(2-Amino-5-fluoroanilino)methyl]oxan-4-ol
CID 81134065
4-[(6-Amino-2,3-difluoroanilino)methyl]oxan-4-ol
CID 81134176
4-[(2-Amino-3-fluoroanilino)methyl]oxan-4-ol
CID 81134791
4-[(2-Amino-4-fluoroanilino)methyl]oxan-4-ol
CID 81134905
4-[(2-Amino-5-fluoro-4-iodoanilino)methyl]oxan-4-ol
CID 81135147

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol (CID 106099631) is 3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1ccccc1N.
What is the InChIKey of 3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol?
The InChIKey is VYBUUSQEPPTBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-12(15,6-7-16-9)8-14-11-5-3-2-4-10(11)13/h2-5,9,14-15H,6-8,13H2,1H3.
What are the key properties of 3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol?
3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol has a molecular weight of 222.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106099631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).