O-(2-tert-butyl-6-propylphenyl)hydroxylamine

C13H21NO — CID 155118579

IUPACO-(2-tert-butyl-6-propylphenyl)hydroxylamine
SMILESCCCc1cccc(C(C)(C)C)c1ON
InChIInChI=1S/C13H21NO/c1-5-7-10-8-6-9-11(12(10)15-14)13(2,3)4/h6,8-9H,5,7,14H2,1-4H3
InChIKeyUSXFBPHPAGFFNU-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.19
Rot. Bonds3

About O-(2-tert-butyl-6-propylphenyl)hydroxylamine

O-(2-tert-butyl-6-propylphenyl)hydroxylamine (PubChem CID 155118579) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is O-(2-tert-butyl-6-propylphenyl)hydroxylamine.

Molecular Properties

Compound NameO-(2-tert-butyl-6-propylphenyl)hydroxylamine
PubChem CID155118579
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameO-(2-tert-butyl-6-propylphenyl)hydroxylamine
SMILESCCCc1cccc(C(C)(C)C)c1ON
InChIInChI=1S/C13H21NO/c1-5-7-10-8-6-9-11(12(10)15-14)13(2,3)4/h6,8-9H,5,7,14H2,1-4H3
InChIKeyUSXFBPHPAGFFNU-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-1,3-dipropylbenzene
CID 14665558
O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine
CID 145139423
methanamine;1-propylnaphthalene
CID 174438724
2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate
CID 21199280
2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene
CID 162101368
1-tert-butyl-2-methoxy-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]benzene
CID 139965187
2-(3-ethyl-2-methoxyphenyl)propan-2-amine
CID 117284071
1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine
CID 57135698
2-(2-propylphenyl)butane-2,3-diamine
CID 54378770
tetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane
CID 140735561
2-(3-tert-butyl-2-methoxyphenyl)acetic acid
CID 21199434
1-(2-methyl-6-propylphenoxy)butan-2-amine
CID 45097705

Frequently Asked Questions

What is the IUPAC name of O-(2-tert-butyl-6-propylphenyl)hydroxylamine?
The IUPAC name of O-(2-tert-butyl-6-propylphenyl)hydroxylamine (CID 155118579) is O-(2-tert-butyl-6-propylphenyl)hydroxylamine.
What is the SMILES notation for O-(2-tert-butyl-6-propylphenyl)hydroxylamine?
The canonical SMILES for O-(2-tert-butyl-6-propylphenyl)hydroxylamine is CCCc1cccc(C(C)(C)C)c1ON.
What is the InChIKey of O-(2-tert-butyl-6-propylphenyl)hydroxylamine?
The InChIKey is USXFBPHPAGFFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-7-10-8-6-9-11(12(10)15-14)13(2,3)4/h6,8-9H,5,7,14H2,1-4H3.
What are the key properties of O-(2-tert-butyl-6-propylphenyl)hydroxylamine?
O-(2-tert-butyl-6-propylphenyl)hydroxylamine has a molecular weight of 207.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-tert-butyl-6-propylphenyl)hydroxylamine is sourced from PubChem (CID 155118579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).