N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine

C16H27NO3 — CID 103401642

IUPACN-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
SMILESCCNC(COCCCOCCOC)c1ccccc1
InChIInChI=1S/C16H27NO3/c1-3-17-16(15-8-5-4-6-9-15)14-20-11-7-10-19-13-12-18-2/h4-6,8-9,16-17H,3,7,10-14H2,1-2H3
InChIKeyHFJLTSOUUHABEQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.41
Rot. Bonds12

About N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine

N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine (PubChem CID 103401642) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
PubChem CID103401642
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
SMILESCCNC(COCCCOCCOC)c1ccccc1
InChIInChI=1S/C16H27NO3/c1-3-17-16(15-8-5-4-6-9-15)14-20-11-7-10-19-13-12-18-2/h4-6,8-9,16-17H,3,7,10-14H2,1-2H3
InChIKeyHFJLTSOUUHABEQ-UHFFFAOYSA-N
XLogP2.41
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.41
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-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
N-ethyl-2-heptoxy-1-phenylethanamine
CID 63475443
2-(2-cyclopropylethoxy)-N-ethyl-1-phenylethanamine
CID 106200509
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845517
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560875
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-phenylethanamine
CID 103405244
1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989914
2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine
CID 103177181

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine?
The IUPAC name of N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine (CID 103401642) is N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine.
What is the SMILES notation for N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine?
The canonical SMILES for N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine is CCNC(COCCCOCCOC)c1ccccc1.
What is the InChIKey of N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine?
The InChIKey is HFJLTSOUUHABEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-17-16(15-8-5-4-6-9-15)14-20-11-7-10-19-13-12-18-2/h4-6,8-9,16-17H,3,7,10-14H2,1-2H3.
What are the key properties of N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine?
N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine has a molecular weight of 281.40 g/mol, XLogP of 2.41, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine is sourced from PubChem (CID 103401642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).