2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine

C16H27NO2 — CID 62572748

IUPAC2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCC(C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C16H27NO2/c1-5-18-10-6-9-17-12-15(4)19-16-8-7-13(2)14(3)11-16/h7-8,11,15,17H,5-6,9-10,12H2,1-4H3
InChIKeyQQELMKFLCISJJD-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.09
Rot. Bonds9

About 2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine

2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine (PubChem CID 62572748) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
PubChem CID62572748
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCC(C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C16H27NO2/c1-5-18-10-6-9-17-12-15(4)19-16-8-7-13(2)14(3)11-16/h7-8,11,15,17H,5-6,9-10,12H2,1-4H3
InChIKeyQQELMKFLCISJJD-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62583134
2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597760
2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597357
N-(3-ethoxypropyl)-2-quinolin-7-yloxypropan-1-amine
CID 107315345
2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62572264
2-(3,4-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine
CID 62573056
N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine
CID 62598795
2-(4-bromo-2-fluorophenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62598384
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
N-[2-(3,4-dimethylphenoxy)propyl]butan-2-amine
CID 55092854
4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine
CID 64707887

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine (CID 62572748) is 2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine is CCOCCCNCC(C)Oc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine?
The InChIKey is QQELMKFLCISJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-18-10-6-9-17-12-15(4)19-16-8-7-13(2)14(3)11-16/h7-8,11,15,17H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine?
2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine is sourced from PubChem (CID 62572748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).