2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine

C10H14N2O2 — CID 143034204

IUPAC2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine
SMILESNc1ccc(N)c(O[C@H]2CCOC2)c1
InChIInChI=1S/C10H14N2O2/c11-7-1-2-9(12)10(5-7)14-8-3-4-13-6-8/h1-2,5,8H,3-4,6,11-12H2/t8-/m0/s1
InChIKeyCCAYZMLOZPTZSP-QMMMGPOBSA-N
MW194.23 g/mol
LogP1.02
Rot. Bonds2

About 2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine

2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine (PubChem CID 143034204) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine.

Molecular Properties

Compound Name2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine
PubChem CID143034204
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine
SMILESNc1ccc(N)c(O[C@H]2CCOC2)c1
InChIInChI=1S/C10H14N2O2/c11-7-1-2-9(12)10(5-7)14-8-3-4-13-6-8/h1-2,5,8H,3-4,6,11-12H2/t8-/m0/s1
InChIKeyCCAYZMLOZPTZSP-QMMMGPOBSA-N
XLogP1.02
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline
CID 166611371
2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline
CID 164888733
methyl 4-amino-3-(oxolan-3-yloxy)benzoate
CID 59360023
4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide
CID 55218798
4-(oxolan-3-yloxy)naphthalen-1-amine
CID 63690299
3-chloro-4-(oxan-3-yloxy)aniline
CID 107134076
3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine
CID 106949868
4-bromo-3-(oxetan-3-yloxy)aniline
CID 170782598
5-amino-2-(oxan-3-yloxy)benzonitrile
CID 107134087
4-amino-3-(oxan-4-yloxy)benzenesulfonamide
CID 82898188
6-amino-5-(oxolan-3-yloxy)-3H-1,3-benzoxazol-2-one
CID 115425982
5-fluoro-2-(oxolan-3-yloxy)-4-propan-2-yloxyaniline
CID 63592135

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine?
The IUPAC name of 2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine (CID 143034204) is 2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine.
What is the SMILES notation for 2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine?
The canonical SMILES for 2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine is Nc1ccc(N)c(O[C@H]2CCOC2)c1.
What is the InChIKey of 2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine?
The InChIKey is CCAYZMLOZPTZSP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-7-1-2-9(12)10(5-7)14-8-3-4-13-6-8/h1-2,5,8H,3-4,6,11-12H2/t8-/m0/s1.
What are the key properties of 2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine?
2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine has a molecular weight of 194.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine is sourced from PubChem (CID 143034204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).