N-(ethylselanylmethyl)-3-methylaniline

C10H15NSe — CID 10633082

IUPACN-(ethylselanylmethyl)-3-methylaniline
SMILESCC[Se]CNc1cccc(C)c1
InChIInChI=1S/C10H15NSe/c1-3-12-8-11-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3
InChIKeyRDXAQLRYJCLPIZ-UHFFFAOYSA-N
MW228.20 g/mol
LogP2.51
Rot. Bonds4

About N-(ethylselanylmethyl)-3-methylaniline

N-(ethylselanylmethyl)-3-methylaniline (PubChem CID 10633082) has the molecular formula C10H15NSe and a molecular weight of 228.20 g/mol. Its IUPAC name is N-(ethylselanylmethyl)-3-methylaniline.

Molecular Properties

Compound NameN-(ethylselanylmethyl)-3-methylaniline
PubChem CID10633082
Molecular FormulaC10H15NSe
Molecular Weight228.20 g/mol
Exact Mass229.04
IUPAC NameN-(ethylselanylmethyl)-3-methylaniline
SMILESCC[Se]CNc1cccc(C)c1
InChIInChI=1S/C10H15NSe/c1-3-12-8-11-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3
InChIKeyRDXAQLRYJCLPIZ-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(2-methylbutyl)aniline
CID 43103774
N-ethyl-3-methylaniline;sulfuric acid
CID 161001051
N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100
N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806214
N-(2-ethylsulfonylethyl)-3-methylaniline
CID 43807532
3-methyl-N-(2-methylpentyl)aniline
CID 43103474
4,4-dimethyl-5-(3-methylanilino)pentanenitrile
CID 115671109
1-(3-methylanilino)ethane-1,1-diol
CID 54318921
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
3-methyl-N-[(4-propylphenyl)methyl]aniline
CID 94687555
N-[2-[3-(3-methylanilino)propylamino]ethyl]-N'-(3-methylphenyl)propane-1,3-diamine
CID 56650104
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026

Frequently Asked Questions

What is the IUPAC name of N-(ethylselanylmethyl)-3-methylaniline?
The IUPAC name of N-(ethylselanylmethyl)-3-methylaniline (CID 10633082) is N-(ethylselanylmethyl)-3-methylaniline.
What is the SMILES notation for N-(ethylselanylmethyl)-3-methylaniline?
The canonical SMILES for N-(ethylselanylmethyl)-3-methylaniline is CC[Se]CNc1cccc(C)c1.
What is the InChIKey of N-(ethylselanylmethyl)-3-methylaniline?
The InChIKey is RDXAQLRYJCLPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NSe/c1-3-12-8-11-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3.
What are the key properties of N-(ethylselanylmethyl)-3-methylaniline?
N-(ethylselanylmethyl)-3-methylaniline has a molecular weight of 228.20 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylselanylmethyl)-3-methylaniline is sourced from PubChem (CID 10633082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).