N,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline

C21H37NO6 — CID 150684481

IUPACN,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline
SMILESCOCCOCCc1ccccc1N(CCOCCOC)CCOCCOC
InChIInChI=1S/C21H37NO6/c1-23-14-17-26-11-8-20-6-4-5-7-21(20)22(9-12-27-18-15-24-2)10-13-28-19-16-25-3/h4-7H,8-19H2,1-3H3
InChIKeyJIOCGMMWFWNSOK-UHFFFAOYSA-N
MW399.53 g/mol
LogP2.02
Rot. Bonds19

About N,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline

N,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline (PubChem CID 150684481) has the molecular formula C21H37NO6 and a molecular weight of 399.53 g/mol. Its IUPAC name is N,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline.

Molecular Properties

Compound NameN,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline
PubChem CID150684481
Molecular FormulaC21H37NO6
Molecular Weight399.53 g/mol
Exact Mass399.26
IUPAC NameN,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline
SMILESCOCCOCCc1ccccc1N(CCOCCOC)CCOCCOC
InChIInChI=1S/C21H37NO6/c1-23-14-17-26-11-8-20-6-4-5-7-21(20)22(9-12-27-18-15-24-2)10-13-28-19-16-25-3/h4-7H,8-19H2,1-3H3
InChIKeyJIOCGMMWFWNSOK-UHFFFAOYSA-N
XLogP2.02
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]aniline
CID 169196905
3-[2-(chloromethyl)-N-(2-methoxyethyl)anilino]propanenitrile
CID 63285124
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283
N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63690496
2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine
CID 103410200
2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]ethanamine;toluene
CID 118437277
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine
CID 104561042
2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63815111
2-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 55236804
3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline
CID 156565420
1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one
CID 112677336

Frequently Asked Questions

What is the IUPAC name of N,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline?
The IUPAC name of N,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline (CID 150684481) is N,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline.
What is the SMILES notation for N,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline?
The canonical SMILES for N,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline is COCCOCCc1ccccc1N(CCOCCOC)CCOCCOC.
What is the InChIKey of N,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline?
The InChIKey is JIOCGMMWFWNSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO6/c1-23-14-17-26-11-8-20-6-4-5-7-21(20)22(9-12-27-18-15-24-2)10-13-28-19-16-25-3/h4-7H,8-19H2,1-3H3.
What are the key properties of N,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline?
N,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline has a molecular weight of 399.53 g/mol, XLogP of 2.02, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-tris[2-(2-methoxyethoxy)ethyl]aniline is sourced from PubChem (CID 150684481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).