4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline

C15H26N2O2 — CID 54985228

IUPAC4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline
SMILESCOCCCN(CCOC)CCc1ccc(N)cc1
InChIInChI=1S/C15H26N2O2/c1-18-12-3-9-17(11-13-19-2)10-8-14-4-6-15(16)7-5-14/h4-7H,3,8-13,16H2,1-2H3
InChIKeyBMAJKGNGIARZCD-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.80
Rot. Bonds10

About 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline

4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline (PubChem CID 54985228) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline
PubChem CID54985228
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline
SMILESCOCCCN(CCOC)CCc1ccc(N)cc1
InChIInChI=1S/C15H26N2O2/c1-18-12-3-9-17(11-13-19-2)10-8-14-4-6-15(16)7-5-14/h4-7H,3,8-13,16H2,1-2H3
InChIKeyBMAJKGNGIARZCD-UHFFFAOYSA-N
XLogP1.80
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline
CID 115341949
4-[3-[butan-2-yl(2-methoxyethyl)amino]propyl]aniline
CID 115341943
[4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenyl]methanol
CID 112631210
4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65482906
4-[3-(diethylamino)propyl]aniline
CID 10608385
4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
CID 55141452
4-[12-(2-methoxyethoxy)dodecyl]aniline
CID 163574819
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 54985082
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine
CID 62137166

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline?
The IUPAC name of 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline (CID 54985228) is 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline.
What is the SMILES notation for 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline?
The canonical SMILES for 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline is COCCCN(CCOC)CCc1ccc(N)cc1.
What is the InChIKey of 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline?
The InChIKey is BMAJKGNGIARZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-18-12-3-9-17(11-13-19-2)10-8-14-4-6-15(16)7-5-14/h4-7H,3,8-13,16H2,1-2H3.
What are the key properties of 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline?
4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline has a molecular weight of 266.38 g/mol, XLogP of 1.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline is sourced from PubChem (CID 54985228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).