N-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine

C11H17NO — CID 117278206

IUPACN-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine
SMILESCCc1cc(C)c(C)c(CNO)c1
InChIInChI=1S/C11H17NO/c1-4-10-5-8(2)9(3)11(6-10)7-12-13/h5-6,12-13H,4,7H2,1-3H3
InChIKeyVVYQFMQWCQMREE-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.34
Rot. Bonds3

About N-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine

N-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine (PubChem CID 117278206) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine
PubChem CID117278206
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine
SMILESCCc1cc(C)c(C)c(CNO)c1
InChIInChI=1S/C11H17NO/c1-4-10-5-8(2)9(3)11(6-10)7-12-13/h5-6,12-13H,4,7H2,1-3H3
InChIKeyVVYQFMQWCQMREE-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-ethyl-2,3-dimethylphenyl)methanamine
CID 117276223
1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol
CID 117283284
3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid
CID 117341037
2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid
CID 117316222
4-ethyl-2,6-dimethylphenol;methane
CID 159618487
ethane;4-ethyl-2,6-dimethylphenol
CID 143343408
2,6-bis[(hydroxyamino)methyl]-4-propylphenol
CID 174667863
4-ethyl-2-methyl-6-[2-(methylamino)ethyl]phenol
CID 83878535
2,4-diethyl-6-methylbenzenesulfonic acid
CID 91576968
2-(5-ethyl-2,3-dimethylphenyl)-2-oxoacetic acid
CID 117294721
1,5-diethyl-3-methyl-2-(2-methylprop-2-enyl)benzene
CID 143345045
6-[(hydroxyamino)methyl]-2,3-dimethylphenol
CID 117276536

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine (CID 117278206) is N-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine is CCc1cc(C)c(C)c(CNO)c1.
What is the InChIKey of N-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine?
The InChIKey is VVYQFMQWCQMREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-10-5-8(2)9(3)11(6-10)7-12-13/h5-6,12-13H,4,7H2,1-3H3.
What are the key properties of N-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine?
N-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine has a molecular weight of 179.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117278206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).