1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine

C13H22N2Se — CID 11832995

IUPAC1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine
SMILESC[Se]c1c(CN(C)C)cccc1CN(C)C
InChIInChI=1S/C13H22N2Se/c1-14(2)9-11-7-6-8-12(10-15(3)4)13(11)16-5/h6-8H,9-10H2,1-5H3
InChIKeyNKMJJFXHXSIEDJ-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.19
Rot. Bonds5

About 1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine

1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine (PubChem CID 11832995) has the molecular formula C13H22N2Se and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine
PubChem CID11832995
Molecular FormulaC13H22N2Se
Molecular Weight285.29 g/mol
Exact Mass286.09
IUPAC Name1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine
SMILESC[Se]c1c(CN(C)C)cccc1CN(C)C
InChIInChI=1S/C13H22N2Se/c1-14(2)9-11-7-6-8-12(10-15(3)4)13(11)16-5/h6-8H,9-10H2,1-5H3
InChIKeyNKMJJFXHXSIEDJ-UHFFFAOYSA-N
XLogP1.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine
CID 86030016
[2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride
CID 16687657
1-[2-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-N,N-dimethylmethanamine
CID 167700248
1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine
CID 135395590
3-[(dimethylamino)methyl]-2-iodophenol
CID 135394008
1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine
CID 14459148
CID 138974220
CID 138974220
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
Tris(2-((dimethylamino)methyl)phenyl)germane
CID 15772942
N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346
hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide)
CID 139241421
1-(2-chloroquinolin-5-yl)-N,N-dimethylmethanamine
CID 118658353

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine (CID 11832995) is 1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine is C[Se]c1c(CN(C)C)cccc1CN(C)C.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine?
The InChIKey is NKMJJFXHXSIEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2Se/c1-14(2)9-11-7-6-8-12(10-15(3)4)13(11)16-5/h6-8H,9-10H2,1-5H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine?
1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine has a molecular weight of 285.29 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 11832995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).