N-[1-[5-(dimethylamino)-2-ethylphenyl]ethyl]hydroxylamine;ethane

C14H26N2O — CID 143293113

IUPACN-[1-[5-(dimethylamino)-2-ethylphenyl]ethyl]hydroxylamine;ethane
SMILESCC.CCc1ccc(N(C)C)cc1C(C)NO
InChIInChI=1S/C12H20N2O.C2H6/c1-5-10-6-7-11(14(3)4)8-12(10)9(2)13-15;1-2/h6-9,13,15H,5H2,1-4H3;1-2H3
InChIKeyHOEUWOPTTUEOTO-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.38
Rot. Bonds4

About N-[1-[5-(dimethylamino)-2-ethylphenyl]ethyl]hydroxylamine;ethane

N-[1-[5-(dimethylamino)-2-ethylphenyl]ethyl]hydroxylamine;ethane (PubChem CID 143293113) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[1-[5-(dimethylamino)-2-ethylphenyl]ethyl]hydroxylamine;ethane.

Molecular Properties

Compound NameN-[1-[5-(dimethylamino)-2-ethylphenyl]ethyl]hydroxylamine;ethane
PubChem CID143293113
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[1-[5-(dimethylamino)-2-ethylphenyl]ethyl]hydroxylamine;ethane
SMILESCC.CCc1ccc(N(C)C)cc1C(C)NO
InChIInChI=1S/C12H20N2O.C2H6/c1-5-10-6-7-11(14(3)4)8-12(10)9(2)13-15;1-2/h6-9,13,15H,5H2,1-4H3;1-2H3
InChIKeyHOEUWOPTTUEOTO-UHFFFAOYSA-N
XLogP3.38
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(dimethylamino)-2-ethylphenyl]ethyl]hydroxylamine;ethane?
The IUPAC name of N-[1-[5-(dimethylamino)-2-ethylphenyl]ethyl]hydroxylamine;ethane (CID 143293113) is N-[1-[5-(dimethylamino)-2-ethylphenyl]ethyl]hydroxylamine;ethane.
What is the SMILES notation for N-[1-[5-(dimethylamino)-2-ethylphenyl]ethyl]hydroxylamine;ethane?
The canonical SMILES for N-[1-[5-(dimethylamino)-2-ethylphenyl]ethyl]hydroxylamine;ethane is CC.CCc1ccc(N(C)C)cc1C(C)NO.
What is the InChIKey of N-[1-[5-(dimethylamino)-2-ethylphenyl]ethyl]hydroxylamine;ethane?
The InChIKey is HOEUWOPTTUEOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.C2H6/c1-5-10-6-7-11(14(3)4)8-12(10)9(2)13-15;1-2/h6-9,13,15H,5H2,1-4H3;1-2H3.
What are the key properties of N-[1-[5-(dimethylamino)-2-ethylphenyl]ethyl]hydroxylamine;ethane?
N-[1-[5-(dimethylamino)-2-ethylphenyl]ethyl]hydroxylamine;ethane has a molecular weight of 238.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(dimethylamino)-2-ethylphenyl]ethyl]hydroxylamine;ethane is sourced from PubChem (CID 143293113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).