O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine

C13H18ClNO3 — CID 117432318

IUPACO-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine
SMILESCOc1cc(CON)cc(Cl)c1OC1CCCC1
InChIInChI=1S/C13H18ClNO3/c1-16-12-7-9(8-17-15)6-11(14)13(12)18-10-4-2-3-5-10/h6-7,10H,2-5,8,15H2,1H3
InChIKeyLWHORMXHMSXSTG-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.06
Rot. Bonds5

About O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine

O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine (PubChem CID 117432318) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine
PubChem CID117432318
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameO-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine
SMILESCOc1cc(CON)cc(Cl)c1OC1CCCC1
InChIInChI=1S/C13H18ClNO3/c1-16-12-7-9(8-17-15)6-11(14)13(12)18-10-4-2-3-5-10/h6-7,10H,2-5,8,15H2,1H3
InChIKeyLWHORMXHMSXSTG-UHFFFAOYSA-N
XLogP3.06
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-cyclopentyloxy-5-methoxyphenol
CID 84703480
O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784
[3-chloro-5-methoxy-4-(oxan-4-yloxy)phenyl]methanamine
CID 63937215
2-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)acetonitrile
CID 84798852
(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine
CID 117392726
[3-chloro-5-methoxy-4-(oxan-3-yloxy)phenyl]methanamine
CID 107134207
3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
CID 894048
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458643
[3-chloro-5-methoxy-4-(oxolan-3-yloxy)phenyl]methanamine
CID 63556548
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid
CID 117481061
1-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxy-3-methoxybenzene
CID 64737673
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342

Frequently Asked Questions

What is the IUPAC name of O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine (CID 117432318) is O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine is COc1cc(CON)cc(Cl)c1OC1CCCC1.
What is the InChIKey of O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine?
The InChIKey is LWHORMXHMSXSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-16-12-7-9(8-17-15)6-11(14)13(12)18-10-4-2-3-5-10/h6-7,10H,2-5,8,15H2,1H3.
What are the key properties of O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine?
O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine has a molecular weight of 271.74 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117432318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).