2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine

C15H25ClN2O2 — CID 83943406

IUPAC2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine
SMILESCCOc1cc(OCC)c(CCC(CN)CN)cc1Cl
InChIInChI=1S/C15H25ClN2O2/c1-3-19-14-8-15(20-4-2)13(16)7-12(14)6-5-11(9-17)10-18/h7-8,11H,3-6,9-10,17-18H2,1-2H3
InChIKeyPJJHWQSCCLOQSJ-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.60
Rot. Bonds9

About 2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine

2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine (PubChem CID 83943406) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine
PubChem CID83943406
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine
SMILESCCOc1cc(OCC)c(CCC(CN)CN)cc1Cl
InChIInChI=1S/C15H25ClN2O2/c1-3-19-14-8-15(20-4-2)13(16)7-12(14)6-5-11(9-17)10-18/h7-8,11H,3-6,9-10,17-18H2,1-2H3
InChIKeyPJJHWQSCCLOQSJ-UHFFFAOYSA-N
XLogP2.60
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol
CID 83937598
4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol
CID 83943487
5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol
CID 83943497
1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
CID 83943404
2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine
CID 83941186
2-[2-(5-chloro-2,4-diethoxyphenyl)butyl]propane-1,3-diamine
CID 83943408
4-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]-2H-triazole
CID 112719678
5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine
CID 83943522
3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
CID 95447725
3-(5-chloro-2,4-diethoxyphenyl)-2-methylpropane-1-thiol
CID 83943394
1-chloro-2,4-diethoxy-5-(2-methylbut-3-ynyl)benzene
CID 83943457
1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene
CID 83943473

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine (CID 83943406) is 2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine is CCOc1cc(OCC)c(CCC(CN)CN)cc1Cl.
What is the InChIKey of 2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine?
The InChIKey is PJJHWQSCCLOQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2/c1-3-19-14-8-15(20-4-2)13(16)7-12(14)6-5-11(9-17)10-18/h7-8,11H,3-6,9-10,17-18H2,1-2H3.
What are the key properties of 2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine?
2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine has a molecular weight of 300.83 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 83943406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).