N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine

C9H12FNO — CID 84765584

IUPACN-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine
SMILESCc1cc(CNO)c(C)cc1F
InChIInChI=1S/C9H12FNO/c1-6-4-9(10)7(2)3-8(6)5-11-12/h3-4,11-12H,5H2,1-2H3
InChIKeyDQSPWVYNRMUGPX-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.92
Rot. Bonds2

About N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine

N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine (PubChem CID 84765584) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine
PubChem CID84765584
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine
SMILESCc1cc(CNO)c(C)cc1F
InChIInChI=1S/C9H12FNO/c1-6-4-9(10)7(2)3-8(6)5-11-12/h3-4,11-12H,5H2,1-2H3
InChIKeyDQSPWVYNRMUGPX-UHFFFAOYSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.92
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

N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84771311
N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117280159
N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117281709
N-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine
CID 117311837
1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79725175
N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine
CID 84796697
N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 54220149
ethane;(5-fluoro-2,4-dimethylphenyl)methanol
CID 154686554
N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 117280060
N-[[2-[tert-butyl(dimethyl)silyl]-4,5-dimethylphenyl]methyl]hydroxylamine
CID 163217171
N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 84803061
N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine
CID 117346067

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine (CID 84765584) is N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine is Cc1cc(CNO)c(C)cc1F.
What is the InChIKey of N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine?
The InChIKey is DQSPWVYNRMUGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-6-4-9(10)7(2)3-8(6)5-11-12/h3-4,11-12H,5H2,1-2H3.
What are the key properties of N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine?
N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine has a molecular weight of 169.20 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 84765584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).