N-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

C17H16ClNO2 — CID 77067697

IUPACN-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESON=C1CCCc2c(OCc3ccccc3Cl)cccc21
InChIInChI=1S/C17H16ClNO2/c18-15-8-2-1-5-12(15)11-21-17-10-4-6-13-14(17)7-3-9-16(13)19-20/h1-2,4-6,8,10,20H,3,7,9,11H2
InChIKeyPJKHRSPWRHEOAT-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.43
Rot. Bonds3

About N-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

N-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 77067697) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID77067697
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESON=C1CCCc2c(OCc3ccccc3Cl)cccc21
InChIInChI=1S/C17H16ClNO2/c18-15-8-2-1-5-12(15)11-21-17-10-4-6-13-14(17)7-3-9-16(13)19-20/h1-2,4-6,8,10,20H,3,7,9,11H2
InChIKeyPJKHRSPWRHEOAT-UHFFFAOYSA-N
XLogP4.43
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 77067697) is N-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is ON=C1CCCc2c(OCc3ccccc3Cl)cccc21.
What is the InChIKey of N-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is PJKHRSPWRHEOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-15-8-2-1-5-12(15)11-21-17-10-4-6-13-14(17)7-3-9-16(13)19-20/h1-2,4-6,8,10,20H,3,7,9,11H2.
What are the key properties of N-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
N-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 301.77 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 77067697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).