2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine

C20H27NO3 — CID 82160331

IUPAC2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2cccc(OC(C)C)c2OC)cc1
InChIInChI=1S/C20H27NO3/c1-14(2)24-19-7-5-6-16(20(19)23-4)12-17(13-21)15-8-10-18(22-3)11-9-15/h5-11,14,17H,12-13,21H2,1-4H3
InChIKeyRHIZLVMMJMHXHY-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.78
Rot. Bonds8

About 2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine

2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 82160331) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
PubChem CID82160331
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2cccc(OC(C)C)c2OC)cc1
InChIInChI=1S/C20H27NO3/c1-14(2)24-19-7-5-6-16(20(19)23-4)12-17(13-21)15-8-10-18(22-3)11-9-15/h5-11,14,17H,12-13,21H2,1-4H3
InChIKeyRHIZLVMMJMHXHY-UHFFFAOYSA-N
XLogP3.78
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548
2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine
CID 82160549
3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine
CID 82160341
2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
CID 82160452
2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83972538
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
CID 83975456
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
CID 82812600
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine (CID 82160331) is 2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine is COc1ccc(C(CN)Cc2cccc(OC(C)C)c2OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is RHIZLVMMJMHXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-14(2)24-19-7-5-6-16(20(19)23-4)12-17(13-21)15-8-10-18(22-3)11-9-15/h5-11,14,17H,12-13,21H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine?
2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 329.44 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 82160331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).