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

C14H23NO3 — CID 60901883

IUPAC1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCOc1ccc(NCC(O)COC(C)(C)C)cc1
InChIInChI=1S/C14H23NO3/c1-14(2,3)18-10-12(16)9-15-11-5-7-13(17-4)8-6-11/h5-8,12,15-16H,9-10H2,1-4H3
InChIKeyQILQPFRLGUAQIF-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.28
Rot. Bonds6

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

1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 60901883) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID60901883
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCOc1ccc(NCC(O)COC(C)(C)C)cc1
InChIInChI=1S/C14H23NO3/c1-14(2,3)18-10-12(16)9-15-11-5-7-13(17-4)8-6-11/h5-8,12,15-16H,9-10H2,1-4H3
InChIKeyQILQPFRLGUAQIF-UHFFFAOYSA-N
XLogP2.28
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.28
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-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60898599
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]benzonitrile
CID 60900095
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
1-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 46014082
1-hexoxy-3-(4-methoxyanilino)propan-2-ol
CID 60900152
1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60897711
1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol
CID 103157166
(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol
CID 1078645
1-[4-[5-(3-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 42838488
1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 62328410

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 60901883) is 1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is COc1ccc(NCC(O)COC(C)(C)C)cc1.
What is the InChIKey of 1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is QILQPFRLGUAQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,3)18-10-12(16)9-15-11-5-7-13(17-4)8-6-11/h5-8,12,15-16H,9-10H2,1-4H3.
What are the key properties of 1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 60901883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).