4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline

C13H22N2O2 — CID 107208306

IUPAC4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline
SMILESCCN(CCOC)Cc1ccc(N)cc1OC
InChIInChI=1S/C13H22N2O2/c1-4-15(7-8-16-2)10-11-5-6-12(14)9-13(11)17-3/h5-6,9H,4,7-8,10,14H2,1-3H3
InChIKeyAWTWPKAADAMCSP-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.75
Rot. Bonds7

About 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline

4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline (PubChem CID 107208306) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline
PubChem CID107208306
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline
SMILESCCN(CCOC)Cc1ccc(N)cc1OC
InChIInChI=1S/C13H22N2O2/c1-4-15(7-8-16-2)10-11-5-6-12(14)9-13(11)17-3/h5-6,9H,4,7-8,10,14H2,1-3H3
InChIKeyAWTWPKAADAMCSP-UHFFFAOYSA-N
XLogP1.75
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.75
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

4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81118120
N-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 155674929
3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline
CID 107208237
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline
CID 107208296
2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79994683
4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 61444696
3-[[ethyl(2-methoxyethyl)amino]methyl]-7-methoxyquinolin-2-amine
CID 62208238
3-(diethylaminomethyl)-4-ethoxyaniline
CID 12703368
4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol
CID 79038153
3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline
CID 114112344
N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 51086801
2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid
CID 107907739

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline?
The IUPAC name of 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline (CID 107208306) is 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline.
What is the SMILES notation for 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline?
The canonical SMILES for 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline is CCN(CCOC)Cc1ccc(N)cc1OC.
What is the InChIKey of 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline?
The InChIKey is AWTWPKAADAMCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-15(7-8-16-2)10-11-5-6-12(14)9-13(11)17-3/h5-6,9H,4,7-8,10,14H2,1-3H3.
What are the key properties of 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline?
4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline has a molecular weight of 238.33 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline is sourced from PubChem (CID 107208306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).