2-[N-(2-hydroxyethyl)-4-phenylmethoxy-2-propan-2-ylanilino]ethanol

C20H27NO3 — CID 10592471

IUPAC2-[N-(2-hydroxyethyl)-4-phenylmethoxy-2-propan-2-ylanilino]ethanol
SMILESCC(C)c1cc(OCc2ccccc2)ccc1N(CCO)CCO
InChIInChI=1S/C20H27NO3/c1-16(2)19-14-18(24-15-17-6-4-3-5-7-17)8-9-20(19)21(10-12-22)11-13-23/h3-9,14,16,22-23H,10-13,15H2,1-2H3
InChIKeyRKFKQRXCVMFWIJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.18
Rot. Bonds9

About 2-[N-(2-hydroxyethyl)-4-phenylmethoxy-2-propan-2-ylanilino]ethanol

2-[N-(2-hydroxyethyl)-4-phenylmethoxy-2-propan-2-ylanilino]ethanol (PubChem CID 10592471) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-4-phenylmethoxy-2-propan-2-ylanilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-4-phenylmethoxy-2-propan-2-ylanilino]ethanol
PubChem CID10592471
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-[N-(2-hydroxyethyl)-4-phenylmethoxy-2-propan-2-ylanilino]ethanol
SMILESCC(C)c1cc(OCc2ccccc2)ccc1N(CCO)CCO
InChIInChI=1S/C20H27NO3/c1-16(2)19-14-18(24-15-17-6-4-3-5-7-17)8-9-20(19)21(10-12-22)11-13-23/h3-9,14,16,22-23H,10-13,15H2,1-2H3
InChIKeyRKFKQRXCVMFWIJ-UHFFFAOYSA-N
XLogP3.18
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.18
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

4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
(1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol
CID 171991585
1-(2-chloro-5-phenylmethoxyphenyl)ethanol
CID 83988712
N,N-bis(2-chloroethyl)-2-fluoro-4-phenylmethoxyaniline
CID 10807218
(1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol
CID 139820128
(2R)-2-[(1R)-1-(2-methoxy-5-phenylmethoxyphenyl)ethoxy]propan-1-ol
CID 10663217
1-butan-2-yl-2-chloro-4-phenylmethoxybenzene
CID 123587275
(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
CID 19030080
3-amino-3-(2-chloro-4-phenylmethoxyphenyl)propan-1-ol
CID 139696671
4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid
CID 70159916
3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol
CID 83932925

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-4-phenylmethoxy-2-propan-2-ylanilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-4-phenylmethoxy-2-propan-2-ylanilino]ethanol (CID 10592471) is 2-[N-(2-hydroxyethyl)-4-phenylmethoxy-2-propan-2-ylanilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-4-phenylmethoxy-2-propan-2-ylanilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-4-phenylmethoxy-2-propan-2-ylanilino]ethanol is CC(C)c1cc(OCc2ccccc2)ccc1N(CCO)CCO.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-4-phenylmethoxy-2-propan-2-ylanilino]ethanol?
The InChIKey is RKFKQRXCVMFWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-16(2)19-14-18(24-15-17-6-4-3-5-7-17)8-9-20(19)21(10-12-22)11-13-23/h3-9,14,16,22-23H,10-13,15H2,1-2H3.
What are the key properties of 2-[N-(2-hydroxyethyl)-4-phenylmethoxy-2-propan-2-ylanilino]ethanol?
2-[N-(2-hydroxyethyl)-4-phenylmethoxy-2-propan-2-ylanilino]ethanol has a molecular weight of 329.44 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-4-phenylmethoxy-2-propan-2-ylanilino]ethanol is sourced from PubChem (CID 10592471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).