(NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine

C14H19BrFNO — CID 174262970

IUPAC(NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine
SMILESCC(C)C/C(=N\O)C(C)Cc1cccc(Br)c1F
InChIInChI=1S/C14H19BrFNO/c1-9(2)7-13(17-18)10(3)8-11-5-4-6-12(15)14(11)16/h4-6,9-10,18H,7-8H2,1-3H3/b17-13+
InChIKeyWHKNXCDAYMXLMZ-GHRIWEEISA-N
MW316.21 g/mol
LogP4.64
Rot. Bonds5

About (NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine

(NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine (PubChem CID 174262970) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is (NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine
PubChem CID174262970
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name(NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine
SMILESCC(C)C/C(=N\O)C(C)Cc1cccc(Br)c1F
InChIInChI=1S/C14H19BrFNO/c1-9(2)7-13(17-18)10(3)8-11-5-4-6-12(15)14(11)16/h4-6,9-10,18H,7-8H2,1-3H3/b17-13+
InChIKeyWHKNXCDAYMXLMZ-GHRIWEEISA-N
XLogP4.64
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]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

(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
CID 95757294
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
CID 84737397
N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine
CID 70699698
1-(3-bromo-2-fluorophenyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 174234166
3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106647002
2-(3-bromo-2-fluorophenyl)ethanol
CID 59290439
2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260
3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 106647005
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457
2-N-[(3-bromo-2-fluorophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345422
1-(3-bromo-2-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 106645174

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine (CID 174262970) is (NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine is CC(C)C/C(=N\O)C(C)Cc1cccc(Br)c1F.
What is the InChIKey of (NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine?
The InChIKey is WHKNXCDAYMXLMZ-GHRIWEEISA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-9(2)7-13(17-18)10(3)8-11-5-4-6-12(15)14(11)16/h4-6,9-10,18H,7-8H2,1-3H3/b17-13+.
What are the key properties of (NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine?
(NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine has a molecular weight of 316.21 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine is sourced from PubChem (CID 174262970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).