4-(3-ethoxyphenoxy)-N-propylbutan-2-amine

C15H25NO2 — CID 62337664

IUPAC4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
SMILESCCCNC(C)CCOc1cccc(OCC)c1
InChIInChI=1S/C15H25NO2/c1-4-10-16-13(3)9-11-18-15-8-6-7-14(12-15)17-5-2/h6-8,12-13,16H,4-5,9-11H2,1-3H3
InChIKeyWEVLODUQPSHULT-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.24
Rot. Bonds9

About 4-(3-ethoxyphenoxy)-N-propylbutan-2-amine

4-(3-ethoxyphenoxy)-N-propylbutan-2-amine (PubChem CID 62337664) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(3-ethoxyphenoxy)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
PubChem CID62337664
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
SMILESCCCNC(C)CCOc1cccc(OCC)c1
InChIInChI=1S/C15H25NO2/c1-4-10-16-13(3)9-11-18-15-8-6-7-14(12-15)17-5-2/h6-8,12-13,16H,4-5,9-11H2,1-3H3
InChIKeyWEVLODUQPSHULT-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine
CID 62337461
4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid
CID 63035319
3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 2296967
1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 78991182
1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 62335575
4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile
CID 55144295
4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63476133
1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105173198
4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine
CID 107893363
ethane;1-(3-methylbutoxy)-3-propoxybenzene
CID 170603501
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
2-(3-ethoxyphenyl)-2-(propylamino)ethanol
CID 61056607

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenoxy)-N-propylbutan-2-amine?
The IUPAC name of 4-(3-ethoxyphenoxy)-N-propylbutan-2-amine (CID 62337664) is 4-(3-ethoxyphenoxy)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(3-ethoxyphenoxy)-N-propylbutan-2-amine?
The canonical SMILES for 4-(3-ethoxyphenoxy)-N-propylbutan-2-amine is CCCNC(C)CCOc1cccc(OCC)c1.
What is the InChIKey of 4-(3-ethoxyphenoxy)-N-propylbutan-2-amine?
The InChIKey is WEVLODUQPSHULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-10-16-13(3)9-11-18-15-8-6-7-14(12-15)17-5-2/h6-8,12-13,16H,4-5,9-11H2,1-3H3.
What are the key properties of 4-(3-ethoxyphenoxy)-N-propylbutan-2-amine?
4-(3-ethoxyphenoxy)-N-propylbutan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenoxy)-N-propylbutan-2-amine is sourced from PubChem (CID 62337664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).