(E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine

C16H17NSe — CID 101356618

IUPAC(E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine
SMILESCNC/C=C(/[Se]c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NSe/c1-17-13-12-16(14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-12,17H,13H2,1H3/b16-12+
InChIKeyJRPHIZYHRPZURC-FOWTUZBSSA-N
MW302.28 g/mol
LogP2.28
Rot. Bonds5

About (E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine

(E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine (PubChem CID 101356618) has the molecular formula C16H17NSe and a molecular weight of 302.28 g/mol. Its IUPAC name is (E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine
PubChem CID101356618
Molecular FormulaC16H17NSe
Molecular Weight302.28 g/mol
Exact Mass303.05
IUPAC Name(E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine
SMILESCNC/C=C(/[Se]c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NSe/c1-17-13-12-16(14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-12,17H,13H2,1H3/b16-12+
InChIKeyJRPHIZYHRPZURC-FOWTUZBSSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.28
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

(E)-4-phenyl-4-phenylselanylbut-3-en-2-one
CID 53355316
1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene
CID 11337041
(Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one
CID 15851628
(Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile
CID 10519304
(Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid
CID 12615337
(Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine
CID 67832078
N-methylmethanamine;2-oxo-2-phenylacetaldehyde
CID 174528822
[(E)-1,2-bis(methylselanyl)ethenyl]benzene
CID 15635882
N-(3,3-diphenylprop-2-enyl)hydroxylamine
CID 10775571
2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169473456
phenacyl 4-(methylamino)but-2-enoate
CID 141055627
N-methyl-3-(4-methylsulfonylphenoxy)-3-phenylprop-2-en-1-amine
CID 54162034

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine?
The IUPAC name of (E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine (CID 101356618) is (E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine is CNC/C=C(/[Se]c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine?
The InChIKey is JRPHIZYHRPZURC-FOWTUZBSSA-N. The full InChI is InChI=1S/C16H17NSe/c1-17-13-12-16(14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-12,17H,13H2,1H3/b16-12+.
What are the key properties of (E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine?
(E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine has a molecular weight of 302.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine is sourced from PubChem (CID 101356618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).