N-(1-phenyl-2-phenylselanylethyl)aniline

C20H19NSe — CID 172557250

IUPACN-(1-phenyl-2-phenylselanylethyl)aniline
SMILESc1ccc(NC(C[Se]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19NSe/c1-4-10-17(11-5-1)20(21-18-12-6-2-7-13-18)16-22-19-14-8-3-9-15-19/h1-15,20-21H,16H2
InChIKeyVXCOYWGEIYVGAB-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.29
Rot. Bonds6

About N-(1-phenyl-2-phenylselanylethyl)aniline

N-(1-phenyl-2-phenylselanylethyl)aniline (PubChem CID 172557250) has the molecular formula C20H19NSe and a molecular weight of 352.34 g/mol. Its IUPAC name is N-(1-phenyl-2-phenylselanylethyl)aniline.

Molecular Properties

Compound NameN-(1-phenyl-2-phenylselanylethyl)aniline
PubChem CID172557250
Molecular FormulaC20H19NSe
Molecular Weight352.34 g/mol
Exact Mass353.07
IUPAC NameN-(1-phenyl-2-phenylselanylethyl)aniline
SMILESc1ccc(NC(C[Se]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19NSe/c1-4-10-17(11-5-1)20(21-18-12-6-2-7-13-18)16-22-19-14-8-3-9-15-19/h1-15,20-21H,16H2
InChIKeyVXCOYWGEIYVGAB-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.29
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-(3-methylphenyl)-2-phenylselanylethyl]aniline
CID 172557248
1-N,1-diphenylbutane-1,3-diamine
CID 542026
1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine
CID 115524370
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
2-methylpropylselanylbenzene
CID 12544088
(2-phenyl-2-phenylmethoxyethyl)selanylbenzene
CID 122224986
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
O-benzyl 3-anilino-3-phenylpropanethioate
CID 132838208
4-(1-phenylpropylamino)phenol
CID 43742837
1-[4-(1-phenylpropylamino)phenyl]ethanone
CID 114468209
2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol
CID 168868522
N-(3-anilino-3-phenylpropyl)-2-chloroacetamide
CID 13121261

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-2-phenylselanylethyl)aniline?
The IUPAC name of N-(1-phenyl-2-phenylselanylethyl)aniline (CID 172557250) is N-(1-phenyl-2-phenylselanylethyl)aniline.
What is the SMILES notation for N-(1-phenyl-2-phenylselanylethyl)aniline?
The canonical SMILES for N-(1-phenyl-2-phenylselanylethyl)aniline is c1ccc(NC(C[Se]c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(1-phenyl-2-phenylselanylethyl)aniline?
The InChIKey is VXCOYWGEIYVGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NSe/c1-4-10-17(11-5-1)20(21-18-12-6-2-7-13-18)16-22-19-14-8-3-9-15-19/h1-15,20-21H,16H2.
What are the key properties of N-(1-phenyl-2-phenylselanylethyl)aniline?
N-(1-phenyl-2-phenylselanylethyl)aniline has a molecular weight of 352.34 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-2-phenylselanylethyl)aniline is sourced from PubChem (CID 172557250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).