1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol

C17H21NO2 — CID 54054142

IUPAC1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol
SMILESCC(O)c1ccc(NCCOCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-14(19)16-7-9-17(10-8-16)18-11-12-20-13-15-5-3-2-4-6-15/h2-10,14,18-19H,11-13H2,1H3
InChIKeyLVARGRCMSPAOKH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.37
Rot. Bonds7

About 1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol

1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol (PubChem CID 54054142) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol
PubChem CID54054142
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol
SMILESCC(O)c1ccc(NCCOCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-14(19)16-7-9-17(10-8-16)18-11-12-20-13-15-5-3-2-4-6-15/h2-10,14,18-19H,11-13H2,1H3
InChIKeyLVARGRCMSPAOKH-UHFFFAOYSA-N
XLogP3.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylmethoxyethyl)pyridin-4-amine
CID 131164924
N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline
CID 58421196
N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
CID 82353063
2-hydroxy-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 111578044
methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde
CID 169146674
1-(2-phenylmethoxyethoxy)ethanol
CID 121292346
1-N-[2-[3-[2-(4-anilinoanilino)ethoxy]-2-methylpropoxy]ethyl]-4-N-phenylbenzene-1,4-diamine
CID 126713469
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2-phenylacetamide
CID 93090514
N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine
CID 11850166
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[[4-(2-phenylmethoxyethylamino)phenyl]methyl]hexanedioic acid
CID 70977957

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol?
The IUPAC name of 1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol (CID 54054142) is 1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol.
What is the SMILES notation for 1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol?
The canonical SMILES for 1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol is CC(O)c1ccc(NCCOCc2ccccc2)cc1.
What is the InChIKey of 1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol?
The InChIKey is LVARGRCMSPAOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-14(19)16-7-9-17(10-8-16)18-11-12-20-13-15-5-3-2-4-6-15/h2-10,14,18-19H,11-13H2,1H3.
What are the key properties of 1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol?
1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol has a molecular weight of 271.36 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol is sourced from PubChem (CID 54054142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).