3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride

C16H20ClNO2 — CID 70582417

IUPAC3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride
SMILESCOc1cccc(OCCC(N)c2ccccc2)c1.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-18-14-8-5-9-15(12-14)19-11-10-16(17)13-6-3-2-4-7-13;/h2-9,12,16H,10-11,17H2,1H3;1H
InChIKeyRMSPFRYDJKWUPE-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.59
Rot. Bonds6

About 3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride

3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride (PubChem CID 70582417) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride
PubChem CID70582417
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride
SMILESCOc1cccc(OCCC(N)c2ccccc2)c1.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-18-14-8-5-9-15(12-14)19-11-10-16(17)13-6-3-2-4-7-13;/h2-9,12,16H,10-11,17H2,1H3;1H
InChIKeyRMSPFRYDJKWUPE-UHFFFAOYSA-N
XLogP3.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenoxy)-1-phenylpropan-1-ol
CID 116693290
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine
CID 62802951
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890
4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 2184702
(1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine
CID 51889884
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride (CID 70582417) is 3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride is COc1cccc(OCCC(N)c2ccccc2)c1.Cl.
What is the InChIKey of 3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride?
The InChIKey is RMSPFRYDJKWUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.ClH/c1-18-14-8-5-9-15(12-14)19-11-10-16(17)13-6-3-2-4-7-13;/h2-9,12,16H,10-11,17H2,1H3;1H.
What are the key properties of 3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride?
3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride has a molecular weight of 293.79 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride is sourced from PubChem (CID 70582417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).