1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine

C16H27NO2 — CID 107664411

IUPAC1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine
SMILESCCCNC(CC)COc1ccc(CC)cc1OC
InChIInChI=1S/C16H27NO2/c1-5-10-17-14(7-3)12-19-15-9-8-13(6-2)11-16(15)18-4/h8-9,11,14,17H,5-7,10,12H2,1-4H3
InChIKeySPSCUEKWYNNZDV-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.41
Rot. Bonds9

About 1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine

1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine (PubChem CID 107664411) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine
PubChem CID107664411
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine
SMILESCCCNC(CC)COc1ccc(CC)cc1OC
InChIInChI=1S/C16H27NO2/c1-5-10-17-14(7-3)12-19-15-9-8-13(6-2)11-16(15)18-4/h8-9,11,14,17H,5-7,10,12H2,1-4H3
InChIKeySPSCUEKWYNNZDV-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol
CID 64805164
1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene
CID 107664506
1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene
CID 107664512
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 60865170
1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107664454
2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)propan-1-ol
CID 107669202
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899284
1-(2,5-difluorophenoxy)-N-propylbutan-2-amine
CID 63268869
1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol
CID 60883043
methyl 4-(3,4-dimethoxyphenyl)-3-(propylamino)butanoate
CID 82351427
1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine
CID 133207496

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine?
The IUPAC name of 1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine (CID 107664411) is 1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine?
The canonical SMILES for 1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine is CCCNC(CC)COc1ccc(CC)cc1OC.
What is the InChIKey of 1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine?
The InChIKey is SPSCUEKWYNNZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-10-17-14(7-3)12-19-15-9-8-13(6-2)11-16(15)18-4/h8-9,11,14,17H,5-7,10,12H2,1-4H3.
What are the key properties of 1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine?
1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine is sourced from PubChem (CID 107664411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).