2-[[2-methoxyethyl(propyl)amino]methyl]aniline

C13H22N2O — CID 43459932

IUPAC2-[[2-methoxyethyl(propyl)amino]methyl]aniline
SMILESCCCN(CCOC)Cc1ccccc1N
InChIInChI=1S/C13H22N2O/c1-3-8-15(9-10-16-2)11-12-6-4-5-7-13(12)14/h4-7H,3,8-11,14H2,1-2H3
InChIKeySKDBSHRBJKKPNM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.13
Rot. Bonds7

About 2-[[2-methoxyethyl(propyl)amino]methyl]aniline

2-[[2-methoxyethyl(propyl)amino]methyl]aniline (PubChem CID 43459932) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(propyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[2-methoxyethyl(propyl)amino]methyl]aniline
PubChem CID43459932
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[[2-methoxyethyl(propyl)amino]methyl]aniline
SMILESCCCN(CCOC)Cc1ccccc1N
InChIInChI=1S/C13H22N2O/c1-3-8-15(9-10-16-2)11-12-6-4-5-7-13(12)14/h4-7H,3,8-11,14H2,1-2H3
InChIKeySKDBSHRBJKKPNM-UHFFFAOYSA-N
XLogP2.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 54985082
3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline
CID 43587897
2-[[octyl(propyl)amino]methyl]aniline
CID 43459961
2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180360
methyl 3-[(2-aminophenyl)methyl-propylamino]propanoate
CID 63949117
2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide
CID 61486088
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900
2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile
CID 39161264
2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline
CID 82888255
3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide
CID 62324815
1-amino-2-[[2-methoxyethylsulfamoyl(propyl)amino]methyl]benzene
CID 114814057
2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
CID 65460357

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(propyl)amino]methyl]aniline?
The IUPAC name of 2-[[2-methoxyethyl(propyl)amino]methyl]aniline (CID 43459932) is 2-[[2-methoxyethyl(propyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[2-methoxyethyl(propyl)amino]methyl]aniline?
The canonical SMILES for 2-[[2-methoxyethyl(propyl)amino]methyl]aniline is CCCN(CCOC)Cc1ccccc1N.
What is the InChIKey of 2-[[2-methoxyethyl(propyl)amino]methyl]aniline?
The InChIKey is SKDBSHRBJKKPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-8-15(9-10-16-2)11-12-6-4-5-7-13(12)14/h4-7H,3,8-11,14H2,1-2H3.
What are the key properties of 2-[[2-methoxyethyl(propyl)amino]methyl]aniline?
2-[[2-methoxyethyl(propyl)amino]methyl]aniline has a molecular weight of 222.33 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(propyl)amino]methyl]aniline is sourced from PubChem (CID 43459932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).