2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine

C22H31NO2 — CID 83973282

IUPAC2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine
SMILESCCCCCOc1ccc(CC(CN)c2cccc(OCC)c2)cc1
InChIInChI=1S/C22H31NO2/c1-3-5-6-14-25-21-12-10-18(11-13-21)15-20(17-23)19-8-7-9-22(16-19)24-4-2/h7-13,16,20H,3-6,14-15,17,23H2,1-2H3
InChIKeyVKLBDXRJXHFMEG-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.94
Rot. Bonds11

About 2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine

2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine (PubChem CID 83973282) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine
PubChem CID83973282
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine
SMILESCCCCCOc1ccc(CC(CN)c2cccc(OCC)c2)cc1
InChIInChI=1S/C22H31NO2/c1-3-5-6-14-25-21-12-10-18(11-13-21)15-20(17-23)19-8-7-9-22(16-19)24-4-2/h7-13,16,20H,3-6,14-15,17,23H2,1-2H3
InChIKeyVKLBDXRJXHFMEG-UHFFFAOYSA-N
XLogP4.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83972609
2-[4-[1-amino-3-(4-heptoxyphenyl)propan-2-yl]phenyl]-3-(4-heptoxyphenyl)propan-1-amine
CID 19885129
3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine
CID 19885262
3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973269
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 112538857
2-(2-fluorophenyl)-3-(4-hexoxyphenyl)propan-1-amine
CID 83975523
2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine
CID 83975343
3-(3-butoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974462
2-(2,4-difluorophenyl)-3-(4-hexoxyphenyl)propan-1-amine
CID 112539034
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
CID 83972590

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine (CID 83973282) is 2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine is CCCCCOc1ccc(CC(CN)c2cccc(OCC)c2)cc1.
What is the InChIKey of 2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine?
The InChIKey is VKLBDXRJXHFMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-3-5-6-14-25-21-12-10-18(11-13-21)15-20(17-23)19-8-7-9-22(16-19)24-4-2/h7-13,16,20H,3-6,14-15,17,23H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine?
2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine has a molecular weight of 341.50 g/mol, XLogP of 4.94, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine is sourced from PubChem (CID 83973282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).