N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine

C9H12BrNO — CID 143634840

IUPACN-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine
SMILESCCc1c(Br)cccc1CNO
InChIInChI=1S/C9H12BrNO/c1-2-8-7(6-11-12)4-3-5-9(8)10/h3-5,11-12H,2,6H2,1H3
InChIKeyBCVFARDPSYOCGN-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.49
Rot. Bonds3

About N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine

N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine (PubChem CID 143634840) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine
PubChem CID143634840
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC NameN-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine
SMILESCCc1c(Br)cccc1CNO
InChIInChI=1S/C9H12BrNO/c1-2-8-7(6-11-12)4-3-5-9(8)10/h3-5,11-12H,2,6H2,1H3
InChIKeyBCVFARDPSYOCGN-UHFFFAOYSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-2-(bromomethyl)-3-ethylbenzene;ethane
CID 123787449
1-bromo-3-chloro-2-ethylbenzene
CID 54267312
N-[(2-bromo-3-methoxyphenyl)methyl]hydroxylamine
CID 117335656
2-bromo-6-[(ethoxyamino)methyl]phenol
CID 82709957
(2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol
CID 130371455
3-bromo-2-ethylbenzoate
CID 86307338
CID 160937062
CID 160937062
3-bromo-2-(methylaminomethyl)phenol
CID 84734958
N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 59724543
N-[(2-bromo-3-pyridinyl)methyl]hydroxylamine
CID 146749341
1-bromo-2-ethyl-3-(3-methylbutan-2-yl)benzene
CID 163799068
N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117468655

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine (CID 143634840) is N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine is CCc1c(Br)cccc1CNO.
What is the InChIKey of N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine?
The InChIKey is BCVFARDPSYOCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-2-8-7(6-11-12)4-3-5-9(8)10/h3-5,11-12H,2,6H2,1H3.
What are the key properties of N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine?
N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine has a molecular weight of 230.10 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 143634840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).