2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline

C14H24N2O2 — CID 54985082

IUPAC2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
SMILESCOCCCN(CCOC)Cc1ccccc1N
InChIInChI=1S/C14H24N2O2/c1-17-10-5-8-16(9-11-18-2)12-13-6-3-4-7-14(13)15/h3-4,6-7H,5,8-12,15H2,1-2H3
InChIKeyAQDFLPTZTWSDBM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.75
Rot. Bonds9

About 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline

2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline (PubChem CID 54985082) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
PubChem CID54985082
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
SMILESCOCCCN(CCOC)Cc1ccccc1N
InChIInChI=1S/C14H24N2O2/c1-17-10-5-8-16(9-11-18-2)12-13-6-3-4-7-14(13)15/h3-4,6-7H,5,8-12,15H2,1-2H3
InChIKeyAQDFLPTZTWSDBM-UHFFFAOYSA-N
XLogP1.75
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-methoxyethyl(propyl)amino]methyl]aniline
CID 43459932
2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180360
3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline
CID 43587897
3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine
CID 62436682
3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 63331103
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline
CID 62207174
2-[[octyl(propyl)amino]methyl]aniline
CID 43459961
2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide
CID 61486088
2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376
3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine
CID 104557423
2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile
CID 39161264
N-[(2-aminophenyl)methyl]-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63290024

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline?
The IUPAC name of 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline (CID 54985082) is 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline?
The canonical SMILES for 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline is COCCCN(CCOC)Cc1ccccc1N.
What is the InChIKey of 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline?
The InChIKey is AQDFLPTZTWSDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-17-10-5-8-16(9-11-18-2)12-13-6-3-4-7-14(13)15/h3-4,6-7H,5,8-12,15H2,1-2H3.
What are the key properties of 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline?
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline has a molecular weight of 252.36 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline is sourced from PubChem (CID 54985082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).