3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine

C21H29NO2 — CID 83972953

IUPAC3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2cc(C)ccc2C)c(OCC)c1
InChIInChI=1S/C21H29NO2/c1-5-23-19-10-9-17(21(13-19)24-6-2)12-18(14-22)20-11-15(3)7-8-16(20)4/h7-11,13,18H,5-6,12,14,22H2,1-4H3
InChIKeyAIDMWBRQNZVFLJ-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.39
Rot. Bonds8

About 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine

3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine (PubChem CID 83972953) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
PubChem CID83972953
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2cc(C)ccc2C)c(OCC)c1
InChIInChI=1S/C21H29NO2/c1-5-23-19-10-9-17(21(13-19)24-6-2)12-18(14-22)20-11-15(3)7-8-16(20)4/h7-11,13,18H,5-6,12,14,22H2,1-4H3
InChIKeyAIDMWBRQNZVFLJ-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974449
3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974368
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 83952976
4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol
CID 83975416
3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976344
2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine
CID 83973201
2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine
CID 83975069
3-(2,4-diethoxyphenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83952987
2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82077390
3-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974436
ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate
CID 170885142
1-(2-ethoxy-4-methylphenyl)propan-2-amine
CID 55254147

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine (CID 83972953) is 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine is CCOc1ccc(CC(CN)c2cc(C)ccc2C)c(OCC)c1.
What is the InChIKey of 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine?
The InChIKey is AIDMWBRQNZVFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-5-23-19-10-9-17(21(13-19)24-6-2)12-18(14-22)20-11-15(3)7-8-16(20)4/h7-11,13,18H,5-6,12,14,22H2,1-4H3.
What are the key properties of 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine?
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine has a molecular weight of 327.47 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 83972953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).