N-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine

C18H19NO2 — CID 173159216

IUPACN-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine
SMILESCOc1cccc(-c2ccc3c(c2)C(C)(C)CC3=NO)c1
InChIInChI=1S/C18H19NO2/c1-18(2)11-17(19-20)15-8-7-13(10-16(15)18)12-5-4-6-14(9-12)21-3/h4-10,20H,11H2,1-3H3
InChIKeyMZDYALFVUKOIPJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.22
Rot. Bonds2

About N-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine

N-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine (PubChem CID 173159216) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine
PubChem CID173159216
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine
SMILESCOc1cccc(-c2ccc3c(c2)C(C)(C)CC3=NO)c1
InChIInChI=1S/C18H19NO2/c1-18(2)11-17(19-20)15-8-7-13(10-16(15)18)12-5-4-6-14(9-12)21-3/h4-10,20H,11H2,1-3H3
InChIKeyMZDYALFVUKOIPJ-UHFFFAOYSA-N
XLogP4.22
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.22
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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Related Compounds

(NE)-N-[3,3-dimethyl-5-(4-methylphenyl)-2H-inden-1-ylidene]hydroxylamine
CID 87781364
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
2-chloro-1-(3-methoxyphenyl)-4-phenylbenzene
CID 173255261
(NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine
CID 52985857
[1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide
CID 58198287
2-[4-(3-methoxyphenyl)phenyl]ethanol
CID 2759703
2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858743
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine (CID 173159216) is N-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine is COc1cccc(-c2ccc3c(c2)C(C)(C)CC3=NO)c1.
What is the InChIKey of N-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine?
The InChIKey is MZDYALFVUKOIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2)11-17(19-20)15-8-7-13(10-16(15)18)12-5-4-6-14(9-12)21-3/h4-10,20H,11H2,1-3H3.
What are the key properties of N-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine?
N-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine has a molecular weight of 281.36 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine is sourced from PubChem (CID 173159216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).