N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine

C17H29NO3 — CID 103180425

IUPACN-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine
SMILESCCNCC(OCCOCCCOC)c1ccc(C)cc1
InChIInChI=1S/C17H29NO3/c1-4-18-14-17(16-8-6-15(2)7-9-16)21-13-12-20-11-5-10-19-3/h6-9,17-18H,4-5,10-14H2,1-3H3
InChIKeyLESBJPBDKDSCRA-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.72
Rot. Bonds12

About N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine

N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine (PubChem CID 103180425) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine
PubChem CID103180425
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine
SMILESCCNCC(OCCOCCCOC)c1ccc(C)cc1
InChIInChI=1S/C17H29NO3/c1-4-18-14-17(16-8-6-15(2)7-9-16)21-13-12-20-11-5-10-19-3/h6-9,17-18H,4-5,10-14H2,1-3H3
InChIKeyLESBJPBDKDSCRA-UHFFFAOYSA-N
XLogP2.72
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.72
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-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine
CID 62106282
N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine
CID 104565741
N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 103180489
1-[2-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzene
CID 114775095
N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 62108054
N-ethyl-2-(4-methoxyphenyl)-2-propoxyethanamine
CID 55036698
(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 103179242
1-[2-bromo-1-(2-propoxyethoxy)ethyl]-4-methylbenzene
CID 63684889
2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103176974
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-phenylethanamine
CID 103405244
2-(4-bromophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62106281
N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine
CID 103412573

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine (CID 103180425) is N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine is CCNCC(OCCOCCCOC)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine?
The InChIKey is LESBJPBDKDSCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-18-14-17(16-8-6-15(2)7-9-16)21-13-12-20-11-5-10-19-3/h6-9,17-18H,4-5,10-14H2,1-3H3.
What are the key properties of N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine?
N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine has a molecular weight of 295.42 g/mol, XLogP of 2.72, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 103180425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).