(1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine

C11H17NSe — CID 134865644

IUPAC(1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine
SMILESC[Se]c1ccccc1[C@H](C)N(C)C
InChIInChI=1S/C11H17NSe/c1-9(12(2)3)10-7-5-6-8-11(10)13-4/h5-9H,1-4H3/t9-/m0/s1
InChIKeyPJCVGHCPUMINMV-VIFPVBQESA-N
MW242.22 g/mol
LogP1.69
Rot. Bonds3

About (1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine

(1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine (PubChem CID 134865644) has the molecular formula C11H17NSe and a molecular weight of 242.22 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine
PubChem CID134865644
Molecular FormulaC11H17NSe
Molecular Weight242.22 g/mol
Exact Mass243.05
IUPAC Name(1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine
SMILESC[Se]c1ccccc1[C@H](C)N(C)C
InChIInChI=1S/C11H17NSe/c1-9(12(2)3)10-7-5-6-8-11(10)13-4/h5-9H,1-4H3/t9-/m0/s1
InChIKeyPJCVGHCPUMINMV-VIFPVBQESA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium 2-[(1S)-1-(dimethylamino)ethyl]benzenethiolate
CID 139022813
copper(1+);2-[(1S)-1-(dimethylamino)ethyl]benzenethiolate
CID 101044186
carbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 85409782
(1R)-1-[2-[[(5S,6R)-1,7-dioxaspiro[5.5]undecan-5-yl]selanyl]phenyl]-N,N-dimethylethanamine
CID 11451863
1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine
CID 13196740
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
carbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine
CID 134884111
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
bis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride
CID 10418527
1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 116914687
2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol
CID 174369266
N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline
CID 23617333

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine?
The IUPAC name of (1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine (CID 134865644) is (1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine.
What is the SMILES notation for (1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine?
The canonical SMILES for (1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine is C[Se]c1ccccc1[C@H](C)N(C)C.
What is the InChIKey of (1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine?
The InChIKey is PJCVGHCPUMINMV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17NSe/c1-9(12(2)3)10-7-5-6-8-11(10)13-4/h5-9H,1-4H3/t9-/m0/s1.
What are the key properties of (1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine?
(1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine has a molecular weight of 242.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine is sourced from PubChem (CID 134865644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).