N-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine

C12H19NO — CID 90735302

IUPACN-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine
SMILESCc1ccccc1CN(O)C(C)(C)C
InChIInChI=1S/C12H19NO/c1-10-7-5-6-8-11(10)9-13(14)12(2,3)4/h5-8,14H,9H2,1-4H3
InChIKeyLKLBUJPQXIUXSY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.98
Rot. Bonds2

About N-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine

N-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine (PubChem CID 90735302) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine
PubChem CID90735302
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine
SMILESCc1ccccc1CN(O)C(C)(C)C
InChIInChI=1S/C12H19NO/c1-10-7-5-6-8-11(10)9-13(14)12(2,3)4/h5-8,14H,9H2,1-4H3
InChIKeyLKLBUJPQXIUXSY-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.98
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

2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62267045
N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 86028064
1-(2-methylphenyl)-N,N-bis(trimethylsilyl)methanamine
CID 13493569
2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol
CID 44719349
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
2-methyl-2-[(2-methylphenyl)methyl]pentan-1-ol
CID 66025238
2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal
CID 55052035
N-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 88758364
2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol
CID 58555255
ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate
CID 115128855
1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 61412120
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine?
The IUPAC name of N-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine (CID 90735302) is N-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine is Cc1ccccc1CN(O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine?
The InChIKey is LKLBUJPQXIUXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-7-5-6-8-11(10)9-13(14)12(2,3)4/h5-8,14H,9H2,1-4H3.
What are the key properties of N-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine?
N-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine has a molecular weight of 193.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 90735302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).