3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline

C14H24N2O2 — CID 43587897

IUPAC3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline
SMILESCOCCN(CCOC)Cc1cccc(N)c1C
InChIInChI=1S/C14H24N2O2/c1-12-13(5-4-6-14(12)15)11-16(7-9-17-2)8-10-18-3/h4-6H,7-11,15H2,1-3H3
InChIKeyQOBBZLMAPSRDJM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.67
Rot. Bonds8

About 3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline

3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline (PubChem CID 43587897) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline.

Molecular Properties

Compound Name3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline
PubChem CID43587897
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline
SMILESCOCCN(CCOC)Cc1cccc(N)c1C
InChIInChI=1S/C14H24N2O2/c1-12-13(5-4-6-14(12)15)11-16(7-9-17-2)8-10-18-3/h4-6H,7-11,15H2,1-3H3
InChIKeyQOBBZLMAPSRDJM-UHFFFAOYSA-N
XLogP1.67
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-methoxyethyl(propyl)amino]methyl]aniline
CID 43459932
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 54985082
3-(methoxymethyl)-2-methylaniline
CID 14801184
2-[[bis(2-methoxyethyl)amino]methyl]-3-bromoaniline
CID 43587794
2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol
CID 60980897
3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 63331103
2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180360
2-[2-methoxyethyl(naphthalen-1-ylmethyl)amino]ethanol
CID 111103161
2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile
CID 39161264
N-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide
CID 103109930
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 39149176
2-methyl-3-[[methyl(pentyl)amino]methyl]aniline
CID 43509178

Frequently Asked Questions

What is the IUPAC name of 3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline?
The IUPAC name of 3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline (CID 43587897) is 3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline.
What is the SMILES notation for 3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline?
The canonical SMILES for 3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline is COCCN(CCOC)Cc1cccc(N)c1C.
What is the InChIKey of 3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline?
The InChIKey is QOBBZLMAPSRDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12-13(5-4-6-14(12)15)11-16(7-9-17-2)8-10-18-3/h4-6H,7-11,15H2,1-3H3.
What are the key properties of 3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline?
3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline has a molecular weight of 252.36 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline is sourced from PubChem (CID 43587897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).