4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol

C17H21NO2 — CID 115494265

IUPAC4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)Nc1ccc(CCO)cc1
InChIInChI=1S/C17H21NO2/c1-13(12-15-4-8-17(20)9-5-15)18-16-6-2-14(3-7-16)10-11-19/h2-9,13,18-20H,10-12H2,1H3
InChIKeyWOXVGQZDQHECAQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.97
Rot. Bonds6

About 4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol

4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol (PubChem CID 115494265) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol
PubChem CID115494265
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)Nc1ccc(CCO)cc1
InChIInChI=1S/C17H21NO2/c1-13(12-15-4-8-17(20)9-5-15)18-16-6-2-14(3-7-16)10-11-19/h2-9,13,18-20H,10-12H2,1H3
InChIKeyWOXVGQZDQHECAQ-UHFFFAOYSA-N
XLogP2.97
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol
CID 103932218
2-[4-(pentan-2-ylamino)phenyl]ethanol
CID 61237126
4-[2-(4-fluoro-3-methylanilino)propyl]phenol
CID 115494328
ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol
CID 145300140
4-[1-(4-hydroxyphenyl)propan-2-ylamino]benzene-1,2-dicarbonitrile
CID 107788231
2-[4-(2-hydroxyethyl)anilino]propanoic acid
CID 66174351
4-[2-(3-propan-2-ylanilino)propyl]phenol
CID 115493965
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
2-[4-(heptan-4-ylamino)phenyl]ethanol
CID 61236944
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
2-chloro-4-[1-(4-hydroxyphenyl)propan-2-ylamino]benzonitrile
CID 115494021

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol?
The IUPAC name of 4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol (CID 115494265) is 4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol.
What is the SMILES notation for 4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol?
The canonical SMILES for 4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol is CC(Cc1ccc(O)cc1)Nc1ccc(CCO)cc1.
What is the InChIKey of 4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol?
The InChIKey is WOXVGQZDQHECAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(12-15-4-8-17(20)9-5-15)18-16-6-2-14(3-7-16)10-11-19/h2-9,13,18-20H,10-12H2,1H3.
What are the key properties of 4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol?
4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol is sourced from PubChem (CID 115494265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).