4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol

C17H21NO2 — CID 43499212

IUPAC4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol
SMILESCCC(NCC(O)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-2-16(13-8-10-15(19)11-9-13)18-12-17(20)14-6-4-3-5-7-14/h3-11,16-20H,2,12H2,1H3
InChIKeyNEKHPDBTSUEMNC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.17
Rot. Bonds6

About 4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol

4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol (PubChem CID 43499212) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol
PubChem CID43499212
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol
SMILESCCC(NCC(O)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-2-16(13-8-10-15(19)11-9-13)18-12-17(20)14-6-4-3-5-7-14/h3-11,16-20H,2,12H2,1H3
InChIKeyNEKHPDBTSUEMNC-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol
CID 62304367
2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol
CID 57000376
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
4-[1-(3-phenylbutylamino)propyl]phenol
CID 62988194
4-[1-(2,2-dimethoxyethylamino)propyl]phenol
CID 54921747
4-[1-[2-(dimethylamino)propylamino]propyl]phenol
CID 54913241
4-(2-anilino-1-hydroxyethyl)phenol
CID 11701381
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
4-(1-phenylpropylamino)phenol
CID 43742837
4-[1-[(2-ethylphenyl)methylamino]propyl]phenol
CID 64680918
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 11565452

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol?
The IUPAC name of 4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol (CID 43499212) is 4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol.
What is the SMILES notation for 4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol?
The canonical SMILES for 4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol is CCC(NCC(O)c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol?
The InChIKey is NEKHPDBTSUEMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-16(13-8-10-15(19)11-9-13)18-12-17(20)14-6-4-3-5-7-14/h3-11,16-20H,2,12H2,1H3.
What are the key properties of 4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol?
4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol is sourced from PubChem (CID 43499212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).