O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine

C12H16ClNO — CID 117324460

IUPACO-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine
SMILESNOCCc1cc(Cl)c2c(c1)CCCC2
InChIInChI=1S/C12H16ClNO/c13-12-8-9(5-6-15-14)7-10-3-1-2-4-11(10)12/h7-8H,1-6,14H2
InChIKeyUNUABSSRELYBJU-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.65
Rot. Bonds3

About O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine

O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine (PubChem CID 117324460) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine
PubChem CID117324460
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameO-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine
SMILESNOCCc1cc(Cl)c2c(c1)CCCC2
InChIInChI=1S/C12H16ClNO/c13-12-8-9(5-6-15-14)7-10-3-1-2-4-11(10)12/h7-8H,1-6,14H2
InChIKeyUNUABSSRELYBJU-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 117321154
O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine
CID 83482053
O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine
CID 117354257
O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine
CID 117387845
O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine
CID 117343417
O-[2-(4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethyl]hydroxylamine
CID 117499820
O-[2-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]hydroxylamine
CID 117295178
4-chloro-6-(isocyanatomethyl)-2,3-dihydro-1H-indene
CID 117296989
ethyl 2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoacetate
CID 117420690
O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine
CID 117281688
O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine
CID 117280299
O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117372592

Frequently Asked Questions

What is the IUPAC name of O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine (CID 117324460) is O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine is NOCCc1cc(Cl)c2c(c1)CCCC2.
What is the InChIKey of O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine?
The InChIKey is UNUABSSRELYBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-12-8-9(5-6-15-14)7-10-3-1-2-4-11(10)12/h7-8H,1-6,14H2.
What are the key properties of O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine?
O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine has a molecular weight of 225.72 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117324460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).