2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine

C22H31NO2 — CID 83972845

IUPAC2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(CC(CN)c2ccc(C)cc2C)cc1OCC
InChIInChI=1S/C22H31NO2/c1-5-11-25-21-10-8-18(14-22(21)24-6-2)13-19(15-23)20-9-7-16(3)12-17(20)4/h7-10,12,14,19H,5-6,11,13,15,23H2,1-4H3
InChIKeySIMZRCMBYAULPE-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.78
Rot. Bonds9

About 2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine

2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine (PubChem CID 83972845) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
PubChem CID83972845
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(CC(CN)c2ccc(C)cc2C)cc1OCC
InChIInChI=1S/C22H31NO2/c1-5-11-25-21-10-8-18(14-22(21)24-6-2)13-19(15-23)20-9-7-16(3)12-17(20)4/h7-10,12,14,19H,5-6,11,13,15,23H2,1-4H3
InChIKeySIMZRCMBYAULPE-UHFFFAOYSA-N
XLogP4.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972849
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 112538891
3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 112538798
2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine
CID 83931979
2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83977047
2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine
CID 83974029
2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83974613
2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83972875
3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 83973025
2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine
CID 22681578

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine (CID 83972845) is 2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine is CCCOc1ccc(CC(CN)c2ccc(C)cc2C)cc1OCC.
What is the InChIKey of 2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine?
The InChIKey is SIMZRCMBYAULPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-5-11-25-21-10-8-18(14-22(21)24-6-2)13-19(15-23)20-9-7-16(3)12-17(20)4/h7-10,12,14,19H,5-6,11,13,15,23H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine?
2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine has a molecular weight of 341.50 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 83972845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).