N-[(4-octoxyphenyl)methyl]hydroxylamine

C15H25NO2 — CID 22368623

IUPACN-[(4-octoxyphenyl)methyl]hydroxylamine
SMILESCCCCCCCCOc1ccc(CNO)cc1
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-7-12-18-15-10-8-14(9-11-15)13-16-17/h8-11,16-17H,2-7,12-13H2,1H3
InChIKeyVVGRPRRUFWZJLL-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.90
Rot. Bonds10

About N-[(4-octoxyphenyl)methyl]hydroxylamine

N-[(4-octoxyphenyl)methyl]hydroxylamine (PubChem CID 22368623) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(4-octoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-octoxyphenyl)methyl]hydroxylamine
PubChem CID22368623
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(4-octoxyphenyl)methyl]hydroxylamine
SMILESCCCCCCCCOc1ccc(CNO)cc1
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-7-12-18-15-10-8-14(9-11-15)13-16-17/h8-11,16-17H,2-7,12-13H2,1H3
InChIKeyVVGRPRRUFWZJLL-UHFFFAOYSA-N
XLogP3.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
bis(4-docosoxyphenyl)-dihydroxysilane
CID 69138050
1,4-dipentoxybenzene
CID 18314717
2-(hydroxymethyl)-2-[(4-tetradecoxyphenyl)methylamino]propane-1,3-diol;hydrochloride
CID 71612675
(2S)-1-[(4-hexoxyphenyl)methylamino]propan-2-ol
CID 46872164
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376

Frequently Asked Questions

What is the IUPAC name of N-[(4-octoxyphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(4-octoxyphenyl)methyl]hydroxylamine (CID 22368623) is N-[(4-octoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4-octoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(4-octoxyphenyl)methyl]hydroxylamine is CCCCCCCCOc1ccc(CNO)cc1.
What is the InChIKey of N-[(4-octoxyphenyl)methyl]hydroxylamine?
The InChIKey is VVGRPRRUFWZJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-4-5-6-7-12-18-15-10-8-14(9-11-15)13-16-17/h8-11,16-17H,2-7,12-13H2,1H3.
What are the key properties of N-[(4-octoxyphenyl)methyl]hydroxylamine?
N-[(4-octoxyphenyl)methyl]hydroxylamine has a molecular weight of 251.37 g/mol, XLogP of 3.90, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-octoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 22368623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).