1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

C14H23NO4 — CID 106989033

IUPAC1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNc1ccccc1OC
InChIInChI=1S/C14H23NO4/c1-11(9-17-2)19-10-12(16)8-15-13-6-4-5-7-14(13)18-3/h4-7,11-12,15-16H,8-10H2,1-3H3
InChIKeyHNSGURNXVQLIHX-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.52
Rot. Bonds9

About 1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106989033) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106989033
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNc1ccccc1OC
InChIInChI=1S/C14H23NO4/c1-11(9-17-2)19-10-12(16)8-15-13-6-4-5-7-14(13)18-3/h4-7,11-12,15-16H,8-10H2,1-3H3
InChIKeyHNSGURNXVQLIHX-UHFFFAOYSA-N
XLogP1.52
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_E(1)', 'substructure': 'N/A'}

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Related Compounds

1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol
CID 106989088
1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989140
1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989052
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981
1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60898993
1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989019
1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282
1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol
CID 63929657
1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60899171
1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989374
2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol
CID 106990619
1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60898787

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106989033) is 1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CNc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is HNSGURNXVQLIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-11(9-17-2)19-10-12(16)8-15-13-6-4-5-7-14(13)18-3/h4-7,11-12,15-16H,8-10H2,1-3H3.
What are the key properties of 1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 269.34 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106989033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).