(2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine

C13H17NSe — CID 169026508

IUPAC(2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine
SMILESCCN[C@@H](C)Cc1c[se]c2ccccc12
InChIInChI=1S/C13H17NSe/c1-3-14-10(2)8-11-9-15-13-7-5-4-6-12(11)13/h4-7,9-10,14H,3,8H2,1-2H3/t10-/m0/s1
InChIKeyYIYIVEMOVSMNKG-JTQLQIEISA-N
MW266.25 g/mol
LogP2.44
Rot. Bonds4

About (2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine

(2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine (PubChem CID 169026508) has the molecular formula C13H17NSe and a molecular weight of 266.25 g/mol. Its IUPAC name is (2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine
PubChem CID169026508
Molecular FormulaC13H17NSe
Molecular Weight266.25 g/mol
Exact Mass267.05
IUPAC Name(2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine
SMILESCCN[C@@H](C)Cc1c[se]c2ccccc12
InChIInChI=1S/C13H17NSe/c1-3-14-10(2)8-11-9-15-13-7-5-4-6-12(11)13/h4-7,9-10,14H,3,8H2,1-2H3/t10-/m0/s1
InChIKeyYIYIVEMOVSMNKG-JTQLQIEISA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine?
The IUPAC name of (2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine (CID 169026508) is (2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for (2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine?
The canonical SMILES for (2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine is CCN[C@@H](C)Cc1c[se]c2ccccc12.
What is the InChIKey of (2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine?
The InChIKey is YIYIVEMOVSMNKG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17NSe/c1-3-14-10(2)8-11-9-15-13-7-5-4-6-12(11)13/h4-7,9-10,14H,3,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine?
(2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine has a molecular weight of 266.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-benzoselenophen-3-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 169026508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).