O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine

C12H16ClNO2 — CID 117356424

IUPACO-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
SMILESNOCCc1cc(Cl)ccc1OCC1CC1
InChIInChI=1S/C12H16ClNO2/c13-11-3-4-12(15-8-9-1-2-9)10(7-11)5-6-16-14/h3-4,7,9H,1-2,5-6,8,14H2
InChIKeyDEVWHFXTNJXSIG-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.56
Rot. Bonds6

About O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine

O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine (PubChem CID 117356424) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
PubChem CID117356424
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameO-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
SMILESNOCCc1cc(Cl)ccc1OCC1CC1
InChIInChI=1S/C12H16ClNO2/c13-11-3-4-12(15-8-9-1-2-9)10(7-11)5-6-16-14/h3-4,7,9H,1-2,5-6,8,14H2
InChIKeyDEVWHFXTNJXSIG-UHFFFAOYSA-N
XLogP2.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.56
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

[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
3-[5-chloro-2-(cyclobutylmethoxy)phenyl]propanal
CID 117384880
[5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride
CID 117475696
1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 117354157
O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
CID 117461107
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 60906211
1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine
CID 117450901
1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 120834763
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
CID 117384831
4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane
CID 143666320

Frequently Asked Questions

What is the IUPAC name of O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine (CID 117356424) is O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine is NOCCc1cc(Cl)ccc1OCC1CC1.
What is the InChIKey of O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine?
The InChIKey is DEVWHFXTNJXSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-11-3-4-12(15-8-9-1-2-9)10(7-11)5-6-16-14/h3-4,7,9H,1-2,5-6,8,14H2.
What are the key properties of O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine?
O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine has a molecular weight of 241.72 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117356424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).