3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine

C21H29NO3 — CID 83974449

IUPAC3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2ccccc2OCC)c(OCC)c1
InChIInChI=1S/C21H29NO3/c1-4-23-18-12-11-16(21(14-18)25-6-3)13-17(15-22)19-9-7-8-10-20(19)24-5-2/h7-12,14,17H,4-6,13,15,22H2,1-3H3
InChIKeyAMFPXIKEXLQAOU-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.17
Rot. Bonds10

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

3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine (PubChem CID 83974449) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
PubChem CID83974449
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2ccccc2OCC)c(OCC)c1
InChIInChI=1S/C21H29NO3/c1-4-23-18-12-11-16(21(14-18)25-6-3)13-17(15-22)19-9-7-8-10-20(19)24-5-2/h7-12,14,17H,4-6,13,15,22H2,1-3H3
InChIKeyAMFPXIKEXLQAOU-UHFFFAOYSA-N
XLogP4.17
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974368
3-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974436
3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976344
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 83972953
4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol
CID 83975416
3-(3-butoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974462
2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83973179
2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine
CID 83973201
2-(2-ethoxyphenyl)-3-(furan-2-yl)propan-1-amine
CID 83974434
2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83974769
3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973334
ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate
CID 170885142

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine (CID 83974449) is 3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine is CCOc1ccc(CC(CN)c2ccccc2OCC)c(OCC)c1.
What is the InChIKey of 3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine?
The InChIKey is AMFPXIKEXLQAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-4-23-18-12-11-16(21(14-18)25-6-3)13-17(15-22)19-9-7-8-10-20(19)24-5-2/h7-12,14,17H,4-6,13,15,22H2,1-3H3.
What are the key properties of 3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine?
3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine has a molecular weight of 343.47 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83974449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).