2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine

C17H29NO3 — CID 103177181

IUPAC2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine
SMILESCCC(OCCOCCCOC)C(NC)c1ccccc1
InChIInChI=1S/C17H29NO3/c1-4-16(21-14-13-20-12-8-11-19-3)17(18-2)15-9-6-5-7-10-15/h5-7,9-10,16-18H,4,8,11-14H2,1-3H3
InChIKeyDKEAGXAHZIRCBJ-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.80
Rot. Bonds12

About 2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine

2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine (PubChem CID 103177181) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine
PubChem CID103177181
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine
SMILESCCC(OCCOCCCOC)C(NC)c1ccccc1
InChIInChI=1S/C17H29NO3/c1-4-16(21-14-13-20-12-8-11-19-3)17(18-2)15-9-6-5-7-10-15/h5-7,9-10,16-18H,4,8,11-14H2,1-3H3
InChIKeyDKEAGXAHZIRCBJ-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine
CID 106200514
N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 103180489
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-phenylethanamine
CID 103405244
N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
CID 103401642
2-(2-butoxyethoxy)-1-phenylbutan-1-amine
CID 43127531
7-(2-methoxyethoxy)heptan-3-ylbenzene
CID 59850685
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine
CID 64613259
5-(2-methoxyethoxy)-N-methyl-2-phenylpentan-1-amine
CID 103412550
2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
CID 103180506
2-[3-(2-methoxyethoxy)propoxy]-2-phenylacetohydrazide
CID 103407127
2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine
CID 103178650

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine (CID 103177181) is 2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine is CCC(OCCOCCCOC)C(NC)c1ccccc1.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine?
The InChIKey is DKEAGXAHZIRCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-16(21-14-13-20-12-8-11-19-3)17(18-2)15-9-6-5-7-10-15/h5-7,9-10,16-18H,4,8,11-14H2,1-3H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine?
2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 2.80, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 103177181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).