N-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine

C22H19NOSe — CID 156690100

IUPACN-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine
SMILESCOc1cccc(N(c2ccc[se]2)c2ccc(C)c3ccccc23)c1
InChIInChI=1S/C22H19NOSe/c1-16-12-13-21(20-10-4-3-9-19(16)20)23(22-11-6-14-25-22)17-7-5-8-18(15-17)24-2/h3-15H,1-2H3
InChIKeyBPHQPSCBSKEXES-UHFFFAOYSA-N
MW392.36 g/mol
LogP5.68
Rot. Bonds4

About N-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine

N-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine (PubChem CID 156690100) has the molecular formula C22H19NOSe and a molecular weight of 392.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine
PubChem CID156690100
Molecular FormulaC22H19NOSe
Molecular Weight392.36 g/mol
Exact Mass393.06
IUPAC NameN-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine
SMILESCOc1cccc(N(c2ccc[se]2)c2ccc(C)c3ccccc23)c1
InChIInChI=1S/C22H19NOSe/c1-16-12-13-21(20-10-4-3-9-19(16)20)23(22-11-6-14-25-22)17-7-5-8-18(15-17)24-2/h3-15H,1-2H3
InChIKeyBPHQPSCBSKEXES-UHFFFAOYSA-N
XLogP5.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.36
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine (CID 156690100) is N-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine is COc1cccc(N(c2ccc[se]2)c2ccc(C)c3ccccc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine?
The InChIKey is BPHQPSCBSKEXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NOSe/c1-16-12-13-21(20-10-4-3-9-19(16)20)23(22-11-6-14-25-22)17-7-5-8-18(15-17)24-2/h3-15H,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine?
N-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine has a molecular weight of 392.36 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine is sourced from PubChem (CID 156690100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).