O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine

C17H29NO2 — CID 117448513

IUPACO-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine
SMILESCOc1ccc(C(C)(C)CC(C)(C)C)cc1CCON
InChIInChI=1S/C17H29NO2/c1-16(2,3)12-17(4,5)14-7-8-15(19-6)13(11-14)9-10-20-18/h7-8,11H,9-10,12,18H2,1-6H3
InChIKeyCXOFHFYIHLJPRA-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.84
Rot. Bonds6

About O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine

O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine (PubChem CID 117448513) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine
PubChem CID117448513
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameO-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine
SMILESCOc1ccc(C(C)(C)CC(C)(C)C)cc1CCON
InChIInChI=1S/C17H29NO2/c1-16(2,3)12-17(4,5)14-7-8-15(19-6)13(11-14)9-10-20-18/h7-8,11H,9-10,12,18H2,1-6H3
InChIKeyCXOFHFYIHLJPRA-UHFFFAOYSA-N
XLogP3.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-1-amine
CID 117471026
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol
CID 117446796
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride
CID 170890567
O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304512
2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine
CID 117445044
4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
CID 93185561
O-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine
CID 117406777
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288455
1-[2-propoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine
CID 170890591
[5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine
CID 155398742
O-[2-(5-fluoro-2,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117306476

Frequently Asked Questions

What is the IUPAC name of O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine (CID 117448513) is O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine is COc1ccc(C(C)(C)CC(C)(C)C)cc1CCON.
What is the InChIKey of O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine?
The InChIKey is CXOFHFYIHLJPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-16(2,3)12-17(4,5)14-7-8-15(19-6)13(11-14)9-10-20-18/h7-8,11H,9-10,12,18H2,1-6H3.
What are the key properties of O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine?
O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine has a molecular weight of 279.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117448513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).