N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine

C17H29NO3 — CID 103180489

IUPACN-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine
SMILESCCCNCC(OCCOCCCOC)c1ccccc1
InChIInChI=1S/C17H29NO3/c1-3-10-18-15-17(16-8-5-4-6-9-16)21-14-13-20-12-7-11-19-2/h4-6,8-9,17-18H,3,7,10-15H2,1-2H3
InChIKeyCBLPLLPEEAIUHF-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.80
Rot. Bonds13

About N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine

N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine (PubChem CID 103180489) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine
PubChem CID103180489
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine
SMILESCCCNCC(OCCOCCCOC)c1ccccc1
InChIInChI=1S/C17H29NO3/c1-3-10-18-15-17(16-8-5-4-6-9-16)21-14-13-20-12-7-11-19-2/h4-6,8-9,17-18H,3,7,10-15H2,1-2H3
InChIKeyCBLPLLPEEAIUHF-UHFFFAOYSA-N
XLogP2.80
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
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-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-phenylethanamine
CID 103405244
N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine
CID 103180425
N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62456729
N-[2-(2-butoxyethoxy)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 62110711
N-(2-phenoxy-2-phenylethyl)propan-1-amine
CID 62452576
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 55072970
2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine
CID 103177181
2-(4-bromophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183685
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 103183665
N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine
CID 62107338
2-[3-(2-methoxyethoxy)propylamino]-1-phenylethanol
CID 103603620
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine (CID 103180489) is N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine is CCCNCC(OCCOCCCOC)c1ccccc1.
What is the InChIKey of N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine?
The InChIKey is CBLPLLPEEAIUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-3-10-18-15-17(16-8-5-4-6-9-16)21-14-13-20-12-7-11-19-2/h4-6,8-9,17-18H,3,7,10-15H2,1-2H3.
What are the key properties of N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine?
N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 2.80, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 103180489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).