3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine

C17H29NO2 — CID 43206900

IUPAC3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine
SMILESCCCc1ccc(C(C)NCCCOCCOC)cc1
InChIInChI=1S/C17H29NO2/c1-4-6-16-7-9-17(10-8-16)15(2)18-11-5-12-20-14-13-19-3/h7-10,15,18H,4-6,11-14H2,1-3H3
InChIKeyREXSBFDOPPPIBQ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.34
Rot. Bonds11

About 3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine

3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine (PubChem CID 43206900) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine
PubChem CID43206900
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine
SMILESCCCc1ccc(C(C)NCCCOCCOC)cc1
InChIInChI=1S/C17H29NO2/c1-4-6-16-7-9-17(10-8-16)15(2)18-11-5-12-20-14-13-19-3/h7-10,15,18H,4-6,11-14H2,1-3H3
InChIKeyREXSBFDOPPPIBQ-UHFFFAOYSA-N
XLogP3.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28720966
3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43102654
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881
3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468
N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 106040066
3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 113219272
4-[1-(3-propoxypropylamino)ethyl]phenol
CID 82941450
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099
3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43770898
1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 104561982

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine (CID 43206900) is 3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine is CCCc1ccc(C(C)NCCCOCCOC)cc1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine?
The InChIKey is REXSBFDOPPPIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-6-16-7-9-17(10-8-16)15(2)18-11-5-12-20-14-13-19-3/h7-10,15,18H,4-6,11-14H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine?
3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.34, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43206900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).