4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol

C17H21NO3 — CID 12541329

IUPAC4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
SMILESOc1ccc(CCNCC(O)COc2ccccc2)cc1
InChIInChI=1S/C17H21NO3/c19-15-8-6-14(7-9-15)10-11-18-12-16(20)13-21-17-4-2-1-3-5-17/h1-9,16,18-20H,10-13H2
InChIKeyIFTHFIXNRWOWBS-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.96
Rot. Bonds8

About 4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol

4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol (PubChem CID 12541329) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
PubChem CID12541329
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
SMILESOc1ccc(CCNCC(O)COc2ccccc2)cc1
InChIInChI=1S/C17H21NO3/c19-15-8-6-14(7-9-15)10-11-18-12-16(20)13-21-17-4-2-1-3-5-17/h1-9,16,18-20H,10-13H2
InChIKeyIFTHFIXNRWOWBS-UHFFFAOYSA-N
XLogP1.96
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol;oxalic acid
CID 12541330
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenoxy]acetic acid
CID 15714008
[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl-phenylphosphinic acid
CID 67683432
1-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-3-phenylurea;hydrochloride
CID 52949022
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
N-[4-[(2S)-2-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]propoxy]phenyl]methanesulfonamide
CID 25107693
(2S)-1-[2-(benzylamino)ethylamino]-3-phenoxypropan-2-ol
CID 129389592
4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol
CID 11481559
1-[2-[4-[diphenyl(phosphoroso)methoxy]phenyl]ethylamino]-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 67702307
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol (CID 12541329) is 4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol is Oc1ccc(CCNCC(O)COc2ccccc2)cc1.
What is the InChIKey of 4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol?
The InChIKey is IFTHFIXNRWOWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-15-8-6-14(7-9-15)10-11-18-12-16(20)13-21-17-4-2-1-3-5-17/h1-9,16,18-20H,10-13H2.
What are the key properties of 4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol?
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 1.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol is sourced from PubChem (CID 12541329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).