3-[4-(2-phenylethoxy)anilino]propan-1-ol

C17H21NO2 — CID 143523886

IUPAC3-[4-(2-phenylethoxy)anilino]propan-1-ol
SMILESOCCCNc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c19-13-4-12-18-16-7-9-17(10-8-16)20-14-11-15-5-2-1-3-6-15/h1-3,5-10,18-19H,4,11-14H2
InChIKeyPZLZDOLRZPSDBK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.10
Rot. Bonds8

About 3-[4-(2-phenylethoxy)anilino]propan-1-ol

3-[4-(2-phenylethoxy)anilino]propan-1-ol (PubChem CID 143523886) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[4-(2-phenylethoxy)anilino]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-phenylethoxy)anilino]propan-1-ol
PubChem CID143523886
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[4-(2-phenylethoxy)anilino]propan-1-ol
SMILESOCCCNc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c19-13-4-12-18-16-7-9-17(10-8-16)20-14-11-15-5-2-1-3-6-15/h1-3,5-10,18-19H,4,11-14H2
InChIKeyPZLZDOLRZPSDBK-UHFFFAOYSA-N
XLogP3.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-[4-(2-phenoxyethoxy)anilino]butan-1-ol
CID 54803419
N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800211
N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800205
N-[3-(2-chlorophenyl)propyl]-4-(3-phenylpropoxy)aniline
CID 54801149
N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline
CID 54801188
4-phenoxy-N-(3-phenylpropyl)aniline
CID 39430776
1-phenyl-3-[4-(2-phenylethoxy)phenyl]thiourea
CID 17066893
4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797347
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
N-[(2-chlorophenyl)methyl]-4-(2-phenylethoxy)aniline
CID 54800221
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenylethoxy)anilino]propan-1-ol?
The IUPAC name of 3-[4-(2-phenylethoxy)anilino]propan-1-ol (CID 143523886) is 3-[4-(2-phenylethoxy)anilino]propan-1-ol.
What is the SMILES notation for 3-[4-(2-phenylethoxy)anilino]propan-1-ol?
The canonical SMILES for 3-[4-(2-phenylethoxy)anilino]propan-1-ol is OCCCNc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 3-[4-(2-phenylethoxy)anilino]propan-1-ol?
The InChIKey is PZLZDOLRZPSDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-13-4-12-18-16-7-9-17(10-8-16)20-14-11-15-5-2-1-3-6-15/h1-3,5-10,18-19H,4,11-14H2.
What are the key properties of 3-[4-(2-phenylethoxy)anilino]propan-1-ol?
3-[4-(2-phenylethoxy)anilino]propan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-phenylethoxy)anilino]propan-1-ol is sourced from PubChem (CID 143523886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).