4-(1,3-dimethoxypropan-2-yloxy)aniline

C11H17NO3 — CID 129353732

IUPAC4-(1,3-dimethoxypropan-2-yloxy)aniline
SMILESCOCC(COC)Oc1ccc(N)cc1
InChIInChI=1S/C11H17NO3/c1-13-7-11(8-14-2)15-10-5-3-9(12)4-6-10/h3-6,11H,7-8,12H2,1-2H3
InChIKeyDQNLWVKLWBYSJB-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.31
Rot. Bonds6

About 4-(1,3-dimethoxypropan-2-yloxy)aniline

4-(1,3-dimethoxypropan-2-yloxy)aniline (PubChem CID 129353732) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(1,3-dimethoxypropan-2-yloxy)aniline.

Molecular Properties

Compound Name4-(1,3-dimethoxypropan-2-yloxy)aniline
PubChem CID129353732
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4-(1,3-dimethoxypropan-2-yloxy)aniline
SMILESCOCC(COC)Oc1ccc(N)cc1
InChIInChI=1S/C11H17NO3/c1-13-7-11(8-14-2)15-10-5-3-9(12)4-6-10/h3-6,11H,7-8,12H2,1-2H3
InChIKeyDQNLWVKLWBYSJB-UHFFFAOYSA-N
XLogP1.31
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine
CID 103228142
4-(1-methoxybutan-2-yloxy)benzenethiol
CID 70906550
(2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol
CID 129408269
3-methoxy-2-phenoxypropan-1-ol
CID 154118183
4-(1,3-dimethoxypropan-2-yloxy)pyridin-2-amine
CID 155587851
2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol
CID 59547147
4-butan-2-yloxyaniline
CID 13097722
2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate
CID 124562471
2-(4-aminoanilino)-3-methoxypropan-1-ol
CID 106183923
1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol
CID 62269701
4-[5-(2-methoxyethoxy)pentoxy]aniline
CID 3026839
4-(difluoromethoxy)aniline
CID 737363

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethoxypropan-2-yloxy)aniline?
The IUPAC name of 4-(1,3-dimethoxypropan-2-yloxy)aniline (CID 129353732) is 4-(1,3-dimethoxypropan-2-yloxy)aniline.
What is the SMILES notation for 4-(1,3-dimethoxypropan-2-yloxy)aniline?
The canonical SMILES for 4-(1,3-dimethoxypropan-2-yloxy)aniline is COCC(COC)Oc1ccc(N)cc1.
What is the InChIKey of 4-(1,3-dimethoxypropan-2-yloxy)aniline?
The InChIKey is DQNLWVKLWBYSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-13-7-11(8-14-2)15-10-5-3-9(12)4-6-10/h3-6,11H,7-8,12H2,1-2H3.
What are the key properties of 4-(1,3-dimethoxypropan-2-yloxy)aniline?
4-(1,3-dimethoxypropan-2-yloxy)aniline has a molecular weight of 211.26 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethoxypropan-2-yloxy)aniline is sourced from PubChem (CID 129353732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).