2-phenoxy-2-(N-phenylanilino)ethanol

C20H19NO2 — CID 139622957

IUPAC2-phenoxy-2-(N-phenylanilino)ethanol
SMILESOCC(Oc1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO2/c22-16-20(23-19-14-8-3-9-15-19)21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,20,22H,16H2
InChIKeyVMMYFVIJRQBXDC-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.22
Rot. Bonds6

About 2-phenoxy-2-(N-phenylanilino)ethanol

2-phenoxy-2-(N-phenylanilino)ethanol (PubChem CID 139622957) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-phenoxy-2-(N-phenylanilino)ethanol.

Molecular Properties

Compound Name2-phenoxy-2-(N-phenylanilino)ethanol
PubChem CID139622957
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2-phenoxy-2-(N-phenylanilino)ethanol
SMILESOCC(Oc1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO2/c22-16-20(23-19-14-8-3-9-15-19)21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,20,22H,16H2
InChIKeyVMMYFVIJRQBXDC-UHFFFAOYSA-N
XLogP4.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
3-methoxy-2-phenoxypropan-1-ol
CID 154118183
trihydroxy(phenoxy)phosphanium
CID 11592959
3-hydroxy-2-phenoxypropanamide
CID 91367159
N-ethyl-2-phenoxy-N-phenylbutanamide
CID 4132728
hydroxymethoxy(phenoxy)methanol
CID 143884409
N,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide
CID 121282114
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
3-(N-phenylanilino)butan-1-ol
CID 67777000
2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide
CID 4940214
4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol
CID 59024475
2-methyl-4-phenoxypentane-1,3,5-triol
CID 146305712

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-2-(N-phenylanilino)ethanol?
The IUPAC name of 2-phenoxy-2-(N-phenylanilino)ethanol (CID 139622957) is 2-phenoxy-2-(N-phenylanilino)ethanol.
What is the SMILES notation for 2-phenoxy-2-(N-phenylanilino)ethanol?
The canonical SMILES for 2-phenoxy-2-(N-phenylanilino)ethanol is OCC(Oc1ccccc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenoxy-2-(N-phenylanilino)ethanol?
The InChIKey is VMMYFVIJRQBXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-16-20(23-19-14-8-3-9-15-19)21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,20,22H,16H2.
What are the key properties of 2-phenoxy-2-(N-phenylanilino)ethanol?
2-phenoxy-2-(N-phenylanilino)ethanol has a molecular weight of 305.38 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-2-(N-phenylanilino)ethanol is sourced from PubChem (CID 139622957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).