3-methoxy-N-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]propan-1-amine

C16H27NO2 — CID 2299870

IUPAC3-methoxy-N-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]propan-1-amine
SMILESCOCCCNCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H27NO2/c1-13(2)15-7-6-14(3)16(12-15)19-11-9-17-8-5-10-18-4/h6-7,12-13,17H,5,8-11H2,1-4H3
InChIKeyCTLBWVHHMNUNLS-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.12
Rot. Bonds9

About 3-methoxy-N-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]propan-1-amine

3-methoxy-N-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]propan-1-amine (PubChem CID 2299870) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]propan-1-amine
PubChem CID2299870
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-methoxy-N-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]propan-1-amine
SMILESCOCCCNCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H27NO2/c1-13(2)15-7-6-14(3)16(12-15)19-11-9-17-8-5-10-18-4/h6-7,12-13,17H,5,8-11H2,1-4H3
InChIKeyCTLBWVHHMNUNLS-UHFFFAOYSA-N
XLogP3.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.12
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]propan-1-amine (CID 2299870) is 3-methoxy-N-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]propan-1-amine is COCCCNCCOc1cc(C(C)C)ccc1C.
What is the InChIKey of 3-methoxy-N-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]propan-1-amine?
The InChIKey is CTLBWVHHMNUNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)15-7-6-14(3)16(12-15)19-11-9-17-8-5-10-18-4/h6-7,12-13,17H,5,8-11H2,1-4H3.
What are the key properties of 3-methoxy-N-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]propan-1-amine?
3-methoxy-N-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 2299870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).