1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine

C18H23NO2 — CID 63815038

IUPAC1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine
SMILESCCCOc1ccc(Oc2ccccc2CC(C)N)cc1
InChIInChI=1S/C18H23NO2/c1-3-12-20-16-8-10-17(11-9-16)21-18-7-5-4-6-15(18)13-14(2)19/h4-11,14H,3,12-13,19H2,1-2H3
InChIKeyJXEDWJNFWVKHJQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.16
Rot. Bonds7

About 1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine

1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine (PubChem CID 63815038) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine
PubChem CID63815038
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine
SMILESCCCOc1ccc(Oc2ccccc2CC(C)N)cc1
InChIInChI=1S/C18H23NO2/c1-3-12-20-16-8-10-17(11-9-16)21-18-7-5-4-6-15(18)13-14(2)19/h4-11,14H,3,12-13,19H2,1-2H3
InChIKeyJXEDWJNFWVKHJQ-UHFFFAOYSA-N
XLogP4.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(chloromethyl)-2-(4-propoxyphenoxy)benzene
CID 28971293
1-[2-(4-iodophenoxy)phenyl]propan-2-amine
CID 63802805
1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 63817173
1-(2-butoxy-4-propoxyphenyl)propan-2-amine
CID 54930871
1-(2-methylpropyl)-2-propoxybenzene
CID 54411248
1-(4-propoxyphenyl)propan-2-amine;hydrochloride
CID 3027264
1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine
CID 60906244
1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine
CID 82727101
1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
CID 113437064
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-(2-but-2-ynoxy-4-propoxyphenyl)propan-2-amine
CID 62311403
1-(2-phenoxyphenyl)butan-2-amine
CID 63803280

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine (CID 63815038) is 1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine is CCCOc1ccc(Oc2ccccc2CC(C)N)cc1.
What is the InChIKey of 1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine?
The InChIKey is JXEDWJNFWVKHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-12-20-16-8-10-17(11-9-16)21-18-7-5-4-6-15(18)13-14(2)19/h4-11,14H,3,12-13,19H2,1-2H3.
What are the key properties of 1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine?
1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63815038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).