2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine

C15H26N2O2 — CID 21415685

IUPAC2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine
SMILESCCCCOCCc1c(NCC)ccc(N)c1OC
InChIInChI=1S/C15H26N2O2/c1-4-6-10-19-11-9-12-14(17-5-2)8-7-13(16)15(12)18-3/h7-8,17H,4-6,9-11,16H2,1-3H3
InChIKeyMJCKDGNZNSLHTO-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.07
Rot. Bonds9

About 2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine

2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine (PubChem CID 21415685) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine
PubChem CID21415685
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine
SMILESCCCCOCCc1c(NCC)ccc(N)c1OC
InChIInChI=1S/C15H26N2O2/c1-4-6-10-19-11-9-12-14(17-5-2)8-7-13(16)15(12)18-3/h7-8,17H,4-6,9-11,16H2,1-3H3
InChIKeyMJCKDGNZNSLHTO-UHFFFAOYSA-N
XLogP3.07
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine?
The IUPAC name of 2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine (CID 21415685) is 2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine.
What is the SMILES notation for 2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine?
The canonical SMILES for 2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine is CCCCOCCc1c(NCC)ccc(N)c1OC.
What is the InChIKey of 2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine?
The InChIKey is MJCKDGNZNSLHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-6-10-19-11-9-12-14(17-5-2)8-7-13(16)15(12)18-3/h7-8,17H,4-6,9-11,16H2,1-3H3.
What are the key properties of 2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine?
2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine has a molecular weight of 266.38 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-1-N-ethyl-3-methoxybenzene-1,4-diamine is sourced from PubChem (CID 21415685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).