1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine

C17H21NO3 — CID 62802951

IUPAC1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine
SMILESCOc1ccc(C(N)CCOc2ccccc2)c(OC)c1
InChIInChI=1S/C17H21NO3/c1-19-14-8-9-15(17(12-14)20-2)16(18)10-11-21-13-6-4-3-5-7-13/h3-9,12,16H,10-11,18H2,1-2H3
InChIKeyDYSJIEJDYCGUHP-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.17
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine

1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine (PubChem CID 62802951) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine
PubChem CID62802951
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine
SMILESCOc1ccc(C(N)CCOc2ccccc2)c(OC)c1
InChIInChI=1S/C17H21NO3/c1-19-14-8-9-15(17(12-14)20-2)16(18)10-11-21-13-6-4-3-5-7-13/h3-9,12,16H,10-11,18H2,1-2H3
InChIKeyDYSJIEJDYCGUHP-UHFFFAOYSA-N
XLogP3.17
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105145160
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride
CID 70582417
1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115861031
1-(2,4-dimethoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560891

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine (CID 62802951) is 1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine is COc1ccc(C(N)CCOc2ccccc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine?
The InChIKey is DYSJIEJDYCGUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-19-14-8-9-15(17(12-14)20-2)16(18)10-11-21-13-6-4-3-5-7-13/h3-9,12,16H,10-11,18H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine?
1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine is sourced from PubChem (CID 62802951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).