1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C15H25NO3 — CID 60898599

IUPAC1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCCOc1ccc(NCC(O)COC(C)(C)C)cc1
InChIInChI=1S/C15H25NO3/c1-5-18-14-8-6-12(7-9-14)16-10-13(17)11-19-15(2,3)4/h6-9,13,16-17H,5,10-11H2,1-4H3
InChIKeyHUGFSRJISMVFLS-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.67
Rot. Bonds7

About 1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 60898599) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID60898599
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCCOc1ccc(NCC(O)COC(C)(C)C)cc1
InChIInChI=1S/C15H25NO3/c1-5-18-14-8-6-12(7-9-14)16-10-13(17)11-19-15(2,3)4/h6-9,13,16-17H,5,10-11H2,1-4H3
InChIKeyHUGFSRJISMVFLS-UHFFFAOYSA-N
XLogP2.67
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60901883
(2S)-1-(4-ethoxyanilino)-3-[(2R)-3-(4-ethoxyanilino)-2-hydroxypropyl]sulfanylpropan-2-ol
CID 7230989
4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]benzonitrile
CID 60900095
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60896693
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60897711
1-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 46014096
diethyl 2-[(4-ethoxyanilino)methyl]propanedioate
CID 10244822
1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 62328410
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol
CID 60897262

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 60898599) is 1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CCOc1ccc(NCC(O)COC(C)(C)C)cc1.
What is the InChIKey of 1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is HUGFSRJISMVFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-18-14-8-6-12(7-9-14)16-10-13(17)11-19-15(2,3)4/h6-9,13,16-17H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 60898599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).