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

C15H26N2O2 — CID 83923547

IUPAC2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine
SMILESCCOc1ccc(C(C)C(CN)CN)cc1OCC
InChIInChI=1S/C15H26N2O2/c1-4-18-14-7-6-12(8-15(14)19-5-2)11(3)13(9-16)10-17/h6-8,11,13H,4-5,9-10,16-17H2,1-3H3
InChIKeyGNAIKBSNCGKKGO-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.12
Rot. Bonds8

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

2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine (PubChem CID 83923547) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine
PubChem CID83923547
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine
SMILESCCOc1ccc(C(C)C(CN)CN)cc1OCC
InChIInChI=1S/C15H26N2O2/c1-4-18-14-7-6-12(8-15(14)19-5-2)11(3)13(9-16)10-17/h6-8,11,13H,4-5,9-10,16-17H2,1-3H3
InChIKeyGNAIKBSNCGKKGO-UHFFFAOYSA-N
XLogP2.12
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol
CID 83923626
4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene
CID 55199459
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171210799
2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine
CID 83973829
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
1-(3,4-diethoxyphenyl)prop-2-en-1-amine
CID 105000806
4-(1-chloro-3-methylbutyl)-1,2-diethoxybenzene
CID 63433848

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of 2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine (CID 83923547) is 2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for 2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine is CCOc1ccc(C(C)C(CN)CN)cc1OCC.
What is the InChIKey of 2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine?
The InChIKey is GNAIKBSNCGKKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-18-14-7-6-12(8-15(14)19-5-2)11(3)13(9-16)10-17/h6-8,11,13H,4-5,9-10,16-17H2,1-3H3.
What are the key properties of 2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine?
2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 83923547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).