N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline

C21H21NSe — CID 172557248

IUPACN-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline
SMILESCc1cccc(C(C[Se]c2ccccc2)Nc2ccccc2)c1
InChIInChI=1S/C21H21NSe/c1-17-9-8-10-18(15-17)21(22-19-11-4-2-5-12-19)16-23-20-13-6-3-7-14-20/h2-15,21-22H,16H2,1H3
InChIKeyWRKSEPPWBGRPCE-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.60
Rot. Bonds6

About N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline

N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline (PubChem CID 172557248) has the molecular formula C21H21NSe and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline
PubChem CID172557248
Molecular FormulaC21H21NSe
Molecular Weight366.37 g/mol
Exact Mass367.08
IUPAC NameN-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline
SMILESCc1cccc(C(C[Se]c2ccccc2)Nc2ccccc2)c1
InChIInChI=1S/C21H21NSe/c1-17-9-8-10-18(15-17)21(22-19-11-4-2-5-12-19)16-23-20-13-6-3-7-14-20/h2-15,21-22H,16H2,1H3
InChIKeyWRKSEPPWBGRPCE-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenyl-2-phenylselanylethyl)aniline
CID 172557250
1-(3-methylphenyl)-N-phenylethane-1,2-diamine
CID 65380714
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
(1R)-2-(3-methylphenyl)selanyl-1-phenylethanol
CID 168868518
(3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one
CID 122397451
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935
methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
N-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline
CID 102188659
N-[(3-methylphenyl)-phenylmethyl]hydroxylamine
CID 142769620
2-(3-iodophenyl)-2-(3-methylanilino)ethanol
CID 114283122
3-acetamido-3-(3-methylphenyl)propanoic acid
CID 63650206

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline?
The IUPAC name of N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline (CID 172557248) is N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline.
What is the SMILES notation for N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline?
The canonical SMILES for N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline is Cc1cccc(C(C[Se]c2ccccc2)Nc2ccccc2)c1.
What is the InChIKey of N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline?
The InChIKey is WRKSEPPWBGRPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NSe/c1-17-9-8-10-18(15-17)21(22-19-11-4-2-5-12-19)16-23-20-13-6-3-7-14-20/h2-15,21-22H,16H2,1H3.
What are the key properties of N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline?
N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline has a molecular weight of 366.37 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)-2-phenylselanylethyl]aniline is sourced from PubChem (CID 172557248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).