O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine

C12H18ClNO3 — CID 117403658

IUPACO-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine
SMILESCCc1c(CCON)cc(Cl)c(OC)c1OC
InChIInChI=1S/C12H18ClNO3/c1-4-9-8(5-6-17-14)7-10(13)12(16-3)11(9)15-2/h7H,4-6,14H2,1-3H3
InChIKeyFTPRFSMCPZLDKW-UHFFFAOYSA-N
MW259.73 g/mol
LogP2.35
Rot. Bonds6

About O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine

O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine (PubChem CID 117403658) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine
PubChem CID117403658
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC NameO-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine
SMILESCCc1c(CCON)cc(Cl)c(OC)c1OC
InChIInChI=1S/C12H18ClNO3/c1-4-9-8(5-6-17-14)7-10(13)12(16-3)11(9)15-2/h7H,4-6,14H2,1-3H3
InChIKeyFTPRFSMCPZLDKW-UHFFFAOYSA-N
XLogP2.35
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 52.35
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

O-[2-(5-bromo-3-chloro-2-methoxyphenyl)ethyl]hydroxylamine
CID 117450509
2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine
CID 117398199
2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol
CID 117335463
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361457
O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117372592
(E)-3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)prop-2-en-1-amine
CID 117392432
O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117307430
3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine
CID 117432464
O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117448848
[1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117479564
O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117464906
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672

Frequently Asked Questions

What is the IUPAC name of O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine (CID 117403658) is O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine is CCc1c(CCON)cc(Cl)c(OC)c1OC.
What is the InChIKey of O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine?
The InChIKey is FTPRFSMCPZLDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3/c1-4-9-8(5-6-17-14)7-10(13)12(16-3)11(9)15-2/h7H,4-6,14H2,1-3H3.
What are the key properties of O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine?
O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine has a molecular weight of 259.73 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117403658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).