N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline

C15H25NO3 — CID 124925556

IUPACN-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline
SMILESCOCCOCCN(CCOC)c1cccc(C)c1
InChIInChI=1S/C15H25NO3/c1-14-5-4-6-15(13-14)16(7-9-17-2)8-10-19-12-11-18-3/h4-6,13H,7-12H2,1-3H3
InChIKeyBHHGZTVLTVTPIO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.11
Rot. Bonds10

About N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline

N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline (PubChem CID 124925556) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline
PubChem CID124925556
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline
SMILESCOCCOCCN(CCOC)c1cccc(C)c1
InChIInChI=1S/C15H25NO3/c1-14-5-4-6-15(13-14)16(7-9-17-2)8-10-19-12-11-18-3/h4-6,13H,7-12H2,1-3H3
InChIKeyBHHGZTVLTVTPIO-UHFFFAOYSA-N
XLogP2.11
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)aniline
CID 166462130
3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol
CID 59211296
3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline
CID 156565420
2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol
CID 54440196
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
1-methoxy-2-(2-methoxyethoxy)ethane;1,3-xylene
CID 69199580
3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline
CID 139697285
N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline
CID 156571603
3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927
3-bromo-N,N-bis(2-methoxyethyl)aniline
CID 146003902
2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium
CID 148560037
N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline (CID 124925556) is N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline is COCCOCCN(CCOC)c1cccc(C)c1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline?
The InChIKey is BHHGZTVLTVTPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-14-5-4-6-15(13-14)16(7-9-17-2)8-10-19-12-11-18-3/h4-6,13H,7-12H2,1-3H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline?
N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline has a molecular weight of 267.37 g/mol, XLogP of 2.11, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline is sourced from PubChem (CID 124925556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).