3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine

C21H29NO2 — CID 83973107

IUPAC3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
SMILESCCOc1cc(CC(CN)c2ccc(C(C)C)cc2)ccc1OC
InChIInChI=1S/C21H29NO2/c1-5-24-21-13-16(6-11-20(21)23-4)12-19(14-22)18-9-7-17(8-10-18)15(2)3/h6-11,13,15,19H,5,12,14,22H2,1-4H3
InChIKeyZSLHOGQLFHVMPB-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.50
Rot. Bonds8

About 3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine

3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine (PubChem CID 83973107) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
PubChem CID83973107
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
SMILESCCOc1cc(CC(CN)c2ccc(C(C)C)cc2)ccc1OC
InChIInChI=1S/C21H29NO2/c1-5-24-21-13-16(6-11-20(21)23-4)12-19(14-22)18-9-7-17(8-10-18)15(2)3/h6-11,13,15,19H,5,12,14,22H2,1-4H3
InChIKeyZSLHOGQLFHVMPB-UHFFFAOYSA-N
XLogP4.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 83973025
3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973627
3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
CID 83972590
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83977047
2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83974871
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine
CID 28973773
5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol
CID 82160848
3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974356

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine?
The IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine (CID 83973107) is 3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine is CCOc1cc(CC(CN)c2ccc(C(C)C)cc2)ccc1OC.
What is the InChIKey of 3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine?
The InChIKey is ZSLHOGQLFHVMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-5-24-21-13-16(6-11-20(21)23-4)12-19(14-22)18-9-7-17(8-10-18)15(2)3/h6-11,13,15,19H,5,12,14,22H2,1-4H3.
What are the key properties of 3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine?
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine has a molecular weight of 327.47 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine is sourced from PubChem (CID 83973107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).