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

C16H27NO3 — CID 104565741

IUPACN-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine
SMILESCCNCC(OCCOCCOC)c1cccc(C)c1
InChIInChI=1S/C16H27NO3/c1-4-17-13-16(15-7-5-6-14(2)12-15)20-11-10-19-9-8-18-3/h5-7,12,16-17H,4,8-11,13H2,1-3H3
InChIKeySAJPAQFSMOKMPP-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.33
Rot. Bonds11

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

N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine (PubChem CID 104565741) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine
PubChem CID104565741
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine
SMILESCCNCC(OCCOCCOC)c1cccc(C)c1
InChIInChI=1S/C16H27NO3/c1-4-17-13-16(15-7-5-6-14(2)12-15)20-11-10-19-9-8-18-3/h5-7,12,16-17H,4,8-11,13H2,1-3H3
InChIKeySAJPAQFSMOKMPP-UHFFFAOYSA-N
XLogP2.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.33
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

N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416737
1-[2-bromo-1-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylbenzene
CID 113427330
N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine
CID 103412573
N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine
CID 103180425
2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 82006484
1-[2-iodo-1-(2-methoxyethoxy)ethyl]-3-methylbenzene
CID 114773155
N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106449148
1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine
CID 104560177
N-ethyl-2-(3-methoxyphenyl)-2-propoxyethanamine
CID 55036120
1-methoxy-2-(2-methoxyethoxy)ethane;1,3-xylene
CID 69199580
N-[2-(3-methylphenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108473
N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 103180489

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine (CID 104565741) is N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine is CCNCC(OCCOCCOC)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine?
The InChIKey is SAJPAQFSMOKMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-17-13-16(15-7-5-6-14(2)12-15)20-11-10-19-9-8-18-3/h5-7,12,16-17H,4,8-11,13H2,1-3H3.
What are the key properties of N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine?
N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine has a molecular weight of 281.40 g/mol, XLogP of 2.33, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 104565741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).