O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine

C11H14ClNO2 — CID 117327701

IUPACO-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(Cl)c(OCC2CC2)c1
InChIInChI=1S/C11H14ClNO2/c12-10-4-3-9(7-15-13)5-11(10)14-6-8-1-2-8/h3-5,8H,1-2,6-7,13H2
InChIKeyKIEHNHZQRHZXMF-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.52
Rot. Bonds5

About O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine

O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine (PubChem CID 117327701) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
PubChem CID117327701
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameO-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(Cl)c(OCC2CC2)c1
InChIInChI=1S/C11H14ClNO2/c12-10-4-3-9(7-15-13)5-11(10)14-6-8-1-2-8/h3-5,8H,1-2,6-7,13H2
InChIKeyKIEHNHZQRHZXMF-UHFFFAOYSA-N
XLogP2.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol
CID 117326029
O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
CID 117461132
3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449060
O-[(3,4-dichlorophenyl)methyl]hydroxylamine
CID 2764016
4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline
CID 69019788
3-chloro-4-(cyclopropylmethoxy)aniline
CID 19626993
2-chloro-5-(cyclopropylmethoxymethyl)aniline
CID 43349982
4-[(2-chloro-5-methylphenoxy)methyl]piperidine
CID 26191031
5-chloro-4-(cyclopropylmethoxy)-2-methylaniline
CID 130549167
[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
CID 107655653
3-chloro-4-(cyclobutylmethoxy)aniline
CID 65459362
3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one
CID 79349829

Frequently Asked Questions

What is the IUPAC name of O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine (CID 117327701) is O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine is NOCc1ccc(Cl)c(OCC2CC2)c1.
What is the InChIKey of O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine?
The InChIKey is KIEHNHZQRHZXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-10-4-3-9(7-15-13)5-11(10)14-6-8-1-2-8/h3-5,8H,1-2,6-7,13H2.
What are the key properties of O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine?
O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine has a molecular weight of 227.69 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117327701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).