1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine

C17H21NO3 — CID 63941754

IUPAC1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine
SMILESCOc1cc(OC)cc(Oc2cccc(CC(C)N)c2)c1
InChIInChI=1S/C17H21NO3/c1-12(18)7-13-5-4-6-14(8-13)21-17-10-15(19-2)9-16(11-17)20-3/h4-6,8-12H,7,18H2,1-3H3
InChIKeyUCLSNRGXOHJHDV-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.39
Rot. Bonds6

About 1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine

1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine (PubChem CID 63941754) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine
PubChem CID63941754
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine
SMILESCOc1cc(OC)cc(Oc2cccc(CC(C)N)c2)c1
InChIInChI=1S/C17H21NO3/c1-12(18)7-13-5-4-6-14(8-13)21-17-10-15(19-2)9-16(11-17)20-3/h4-6,8-12H,7,18H2,1-3H3
InChIKeyUCLSNRGXOHJHDV-UHFFFAOYSA-N
XLogP3.39
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
1-[3-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63943526
1-[3-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63943521
4-[3-(2-aminopropyl)phenoxy]aniline
CID 116996628
1-(3-pyridin-3-yloxyphenyl)propan-2-amine
CID 63941950
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine
CID 83234688
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
1-[3-(methoxymethoxy)phenyl]propan-2-amine
CID 55253645
1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]propan-2-amine
CID 65445918
1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine
CID 63942350
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine (CID 63941754) is 1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine is COc1cc(OC)cc(Oc2cccc(CC(C)N)c2)c1.
What is the InChIKey of 1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine?
The InChIKey is UCLSNRGXOHJHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(18)7-13-5-4-6-14(8-13)21-17-10-15(19-2)9-16(11-17)20-3/h4-6,8-12H,7,18H2,1-3H3.
What are the key properties of 1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine?
1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine has a molecular weight of 287.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63941754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).