2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline

C15H26N2O2 — CID 54989680

IUPAC2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
SMILESCOCCCN(CCOC)c1ccccc1C(C)N
InChIInChI=1S/C15H26N2O2/c1-13(16)14-7-4-5-8-15(14)17(10-12-19-3)9-6-11-18-2/h4-5,7-8,13H,6,9-12,16H2,1-3H3
InChIKeyYAYKPESTNFXYCN-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.20
Rot. Bonds9

About 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline

2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline (PubChem CID 54989680) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
PubChem CID54989680
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
SMILESCOCCCN(CCOC)c1ccccc1C(C)N
InChIInChI=1S/C15H26N2O2/c1-13(16)14-7-4-5-8-15(14)17(10-12-19-3)9-6-11-18-2/h4-5,7-8,13H,6,9-12,16H2,1-3H3
InChIKeyYAYKPESTNFXYCN-UHFFFAOYSA-N
XLogP2.20
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987089
2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 78935486
2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63815111
2-(1-aminopropyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 112678005
2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline
CID 63697735
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54984969
4-[(1S)-1-aminoethyl]-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 78934764
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929
2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 63734268
N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine
CID 54935456
N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 78935470
2-(1-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)aniline
CID 55010184

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline (CID 54989680) is 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline is COCCCN(CCOC)c1ccccc1C(C)N.
What is the InChIKey of 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The InChIKey is YAYKPESTNFXYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-13(16)14-7-4-5-8-15(14)17(10-12-19-3)9-6-11-18-2/h4-5,7-8,13H,6,9-12,16H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline has a molecular weight of 266.38 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline is sourced from PubChem (CID 54989680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).