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

C21H29NO2 — CID 83973201

IUPAC2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine
SMILESCCOc1ccc(C(CN)Cc2cc(C)cc(C)c2)c(OCC)c1
InChIInChI=1S/C21H29NO2/c1-5-23-19-7-8-20(21(13-19)24-6-2)18(14-22)12-17-10-15(3)9-16(4)11-17/h7-11,13,18H,5-6,12,14,22H2,1-4H3
InChIKeyMFSYGRPBGYJTNN-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.39
Rot. Bonds8

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

2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine (PubChem CID 83973201) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine
PubChem CID83973201
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine
SMILESCCOc1ccc(C(CN)Cc2cc(C)cc(C)c2)c(OCC)c1
InChIInChI=1S/C21H29NO2/c1-5-23-19-7-8-20(21(13-19)24-6-2)18(14-22)12-17-10-15(3)9-16(4)11-17/h7-11,13,18H,5-6,12,14,22H2,1-4H3
InChIKeyMFSYGRPBGYJTNN-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

2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83973179
3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974449
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 83972953
2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83974956
3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974368
3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977058
2-(2-ethoxy-5-fluorophenyl)-3-(4-ethoxyphenyl)propan-1-amine
CID 83974772
2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83974319
3-(3-butoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974462
2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83974935
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 83974291

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine?
The IUPAC name of 2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine (CID 83973201) is 2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for 2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine is CCOc1ccc(C(CN)Cc2cc(C)cc(C)c2)c(OCC)c1.
What is the InChIKey of 2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine?
The InChIKey is MFSYGRPBGYJTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-5-23-19-7-8-20(21(13-19)24-6-2)18(14-22)12-17-10-15(3)9-16(4)11-17/h7-11,13,18H,5-6,12,14,22H2,1-4H3.
What are the key properties of 2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine?
2-(2,4-diethoxyphenyl)-3-(3,5-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 2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 83973201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).