O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine

C11H16ClNO2 — CID 13380966

IUPACO-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine
SMILESCCCCOc1ccc(CON)cc1Cl
InChIInChI=1S/C11H16ClNO2/c1-2-3-6-14-11-5-4-9(8-15-13)7-10(11)12/h4-5,7H,2-3,6,8,13H2,1H3
InChIKeyWRJUIVGEYIRYJU-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.91
Rot. Bonds6

About O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine

O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine (PubChem CID 13380966) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine
PubChem CID13380966
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC NameO-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine
SMILESCCCCOc1ccc(CON)cc1Cl
InChIInChI=1S/C11H16ClNO2/c1-2-3-6-14-11-5-4-9(8-15-13)7-10(11)12/h4-5,7H,2-3,6,8,13H2,1H3
InChIKeyWRJUIVGEYIRYJU-UHFFFAOYSA-N
XLogP2.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze O-[(4-butoxy-3-chlorophenyl)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

(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558
2-(3-chloro-4-nonoxyphenyl)ethanamine
CID 63421979
2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine
CID 18956682
2-(4-butoxy-3-chlorophenyl)acetic acid
CID 27380
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386
N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine
CID 63498871
N-[(3-chloro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63485646
O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine
CID 71207187
N-[(3-chloro-4-heptoxyphenyl)methyl]propan-2-amine
CID 63500122
2-chloro-1-propoxy-4-propylbenzene;ethane
CID 143012036
4-(3-chloro-4-nonoxyphenyl)butan-2-amine
CID 83951315
O-[(3,4-dichlorophenyl)methyl]hydroxylamine
CID 2764016

Frequently Asked Questions

What is the IUPAC name of O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine?
The IUPAC name of O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine (CID 13380966) is O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine is CCCCOc1ccc(CON)cc1Cl.
What is the InChIKey of O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine?
The InChIKey is WRJUIVGEYIRYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-2-3-6-14-11-5-4-9(8-15-13)7-10(11)12/h4-5,7H,2-3,6,8,13H2,1H3.
What are the key properties of O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine?
O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine has a molecular weight of 229.71 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 13380966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).