1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol

C17H20N2O2 — CID 143133987

IUPAC1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol
SMILESO=Nc1ccc(C(O)CNCCCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c20-17(15-8-10-16(19-21)11-9-15)13-18-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,20H,4,7,12-13H2
InChIKeyQHVQUHXYBHPJLD-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.34
Rot. Bonds8

About 1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol

1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol (PubChem CID 143133987) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol.

Molecular Properties

Compound Name1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol
PubChem CID143133987
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol
SMILESO=Nc1ccc(C(O)CNCCCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c20-17(15-8-10-16(19-21)11-9-15)13-18-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,20H,4,7,12-13H2
InChIKeyQHVQUHXYBHPJLD-UHFFFAOYSA-N
XLogP3.34
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60724627
1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60906498
2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid
CID 67789654
2-(hydroxymethyl)-4-[1-hydroxy-2-(3-phenylpropylamino)ethyl]phenol
CID 173131334
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
9-[(2-hydroxy-2-phenylethyl)amino]nonyl 4-phenylbutanoate
CID 23352551
11-[(2-hydroxy-2-phenylethyl)amino]-2-(2-phenylethyl)undecanoic acid
CID 67815162
1-(3-phenylpropylamino)butan-2-ol
CID 60905255
4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-(nitrosomethyl)phenol
CID 135255316
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
CID 13011907

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol?
The IUPAC name of 1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol (CID 143133987) is 1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol.
What is the SMILES notation for 1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol?
The canonical SMILES for 1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol is O=Nc1ccc(C(O)CNCCCc2ccccc2)cc1.
What is the InChIKey of 1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol?
The InChIKey is QHVQUHXYBHPJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(15-8-10-16(19-21)11-9-15)13-18-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,20H,4,7,12-13H2.
What are the key properties of 1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol?
1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol has a molecular weight of 284.36 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol is sourced from PubChem (CID 143133987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).