1-(4-phenoxyphenoxy)-N-propylpropan-2-amine

C18H23NO2 — CID 63474715

IUPAC1-(4-phenoxyphenoxy)-N-propylpropan-2-amine
SMILESCCCNC(C)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-13-19-15(2)14-20-16-9-11-18(12-10-16)21-17-7-5-4-6-8-17/h4-12,15,19H,3,13-14H2,1-2H3
InChIKeyUYQJZZVRQGIWHL-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.25
Rot. Bonds8

About 1-(4-phenoxyphenoxy)-N-propylpropan-2-amine

1-(4-phenoxyphenoxy)-N-propylpropan-2-amine (PubChem CID 63474715) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(4-phenoxyphenoxy)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-phenoxyphenoxy)-N-propylpropan-2-amine
PubChem CID63474715
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(4-phenoxyphenoxy)-N-propylpropan-2-amine
SMILESCCCNC(C)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-13-19-15(2)14-20-16-9-11-18(12-10-16)21-17-7-5-4-6-8-17/h4-12,15,19H,3,13-14H2,1-2H3
InChIKeyUYQJZZVRQGIWHL-UHFFFAOYSA-N
XLogP4.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622
1-phenoxy-N-propyldecan-2-amine
CID 63416663
N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine
CID 63474716
1-(3,5-difluorophenoxy)-N-propylpropan-2-amine
CID 62784297
5-methoxy-1-phenoxy-N-propylpentan-2-amine
CID 112688298
N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide
CID 95125733
1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 115939962
1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine
CID 115495220
1-phenoxy-N-propylpent-4-yn-2-amine
CID 62717059
1-(2,2-dimethoxyethoxy)-4-phenoxybenzene
CID 19424117
N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416707
N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416441

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenoxy)-N-propylpropan-2-amine?
The IUPAC name of 1-(4-phenoxyphenoxy)-N-propylpropan-2-amine (CID 63474715) is 1-(4-phenoxyphenoxy)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-phenoxyphenoxy)-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-phenoxyphenoxy)-N-propylpropan-2-amine is CCCNC(C)COc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenoxy)-N-propylpropan-2-amine?
The InChIKey is UYQJZZVRQGIWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-13-19-15(2)14-20-16-9-11-18(12-10-16)21-17-7-5-4-6-8-17/h4-12,15,19H,3,13-14H2,1-2H3.
What are the key properties of 1-(4-phenoxyphenoxy)-N-propylpropan-2-amine?
1-(4-phenoxyphenoxy)-N-propylpropan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenoxy)-N-propylpropan-2-amine is sourced from PubChem (CID 63474715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).