4-[4-(2-phenoxyethoxy)anilino]butan-1-ol

C18H23NO3 — CID 54803419

IUPAC4-[4-(2-phenoxyethoxy)anilino]butan-1-ol
SMILESOCCCCNc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C18H23NO3/c20-13-5-4-12-19-16-8-10-18(11-9-16)22-15-14-21-17-6-2-1-3-7-17/h1-3,6-11,19-20H,4-5,12-15H2
InChIKeyGFEJHTPUEMIEJL-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.33
Rot. Bonds10

About 4-[4-(2-phenoxyethoxy)anilino]butan-1-ol

4-[4-(2-phenoxyethoxy)anilino]butan-1-ol (PubChem CID 54803419) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[4-(2-phenoxyethoxy)anilino]butan-1-ol.

Molecular Properties

Compound Name4-[4-(2-phenoxyethoxy)anilino]butan-1-ol
PubChem CID54803419
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name4-[4-(2-phenoxyethoxy)anilino]butan-1-ol
SMILESOCCCCNc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C18H23NO3/c20-13-5-4-12-19-16-8-10-18(11-9-16)22-15-14-21-17-6-2-1-3-7-17/h1-3,6-11,19-20H,4-5,12-15H2
InChIKeyGFEJHTPUEMIEJL-UHFFFAOYSA-N
XLogP3.33
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-phenylethoxy)anilino]propan-1-ol
CID 143523886
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916
10-anilinodecan-1-ol
CID 10955954
7-phenoxyheptan-1-ol
CID 15856264
N-[4-(4-methylphenoxy)butyl]aniline
CID 82096490
N-[4-(3-phenoxypropylamino)phenyl]acetamide
CID 60678376
5-(4-phenoxyphenoxy)pentan-1-ol
CID 62229008
4-(3-phenoxypropylamino)benzamide
CID 60678988
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
[4-(12-anilinododecoxy)phenyl]-phenylmethanone
CID 15398969
6-[4-(difluoromethoxy)anilino]hexan-1-ol
CID 113264757

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-phenoxyethoxy)anilino]butan-1-ol?
The IUPAC name of 4-[4-(2-phenoxyethoxy)anilino]butan-1-ol (CID 54803419) is 4-[4-(2-phenoxyethoxy)anilino]butan-1-ol.
What is the SMILES notation for 4-[4-(2-phenoxyethoxy)anilino]butan-1-ol?
The canonical SMILES for 4-[4-(2-phenoxyethoxy)anilino]butan-1-ol is OCCCCNc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of 4-[4-(2-phenoxyethoxy)anilino]butan-1-ol?
The InChIKey is GFEJHTPUEMIEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-13-5-4-12-19-16-8-10-18(11-9-16)22-15-14-21-17-6-2-1-3-7-17/h1-3,6-11,19-20H,4-5,12-15H2.
What are the key properties of 4-[4-(2-phenoxyethoxy)anilino]butan-1-ol?
4-[4-(2-phenoxyethoxy)anilino]butan-1-ol has a molecular weight of 301.39 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-phenoxyethoxy)anilino]butan-1-ol is sourced from PubChem (CID 54803419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).