5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride

C15H28Cl2N2 — CID 70562248

IUPAC5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride
SMILESCCN(CC)c1cc(CCN)ccc1C(C)C.Cl.Cl
InChIInChI=1S/C15H26N2.2ClH/c1-5-17(6-2)15-11-13(9-10-16)7-8-14(15)12(3)4;;/h7-8,11-12H,5-6,9-10,16H2,1-4H3;2*1H
InChIKeyUELJLBBBTISUAS-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.00
Rot. Bonds6

About 5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride

5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride (PubChem CID 70562248) has the molecular formula C15H28Cl2N2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride.

Molecular Properties

Compound Name5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride
PubChem CID70562248
Molecular FormulaC15H28Cl2N2
Molecular Weight307.31 g/mol
Exact Mass306.16
IUPAC Name5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride
SMILESCCN(CC)c1cc(CCN)ccc1C(C)C.Cl.Cl
InChIInChI=1S/C15H26N2.2ClH/c1-5-17(6-2)15-11-13(9-10-16)7-8-14(15)12(3)4;;/h7-8,11-12H,5-6,9-10,16H2,1-4H3;2*1H
InChIKeyUELJLBBBTISUAS-UHFFFAOYSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride?
The IUPAC name of 5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride (CID 70562248) is 5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride.
What is the SMILES notation for 5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride?
The canonical SMILES for 5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride is CCN(CC)c1cc(CCN)ccc1C(C)C.Cl.Cl.
What is the InChIKey of 5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride?
The InChIKey is UELJLBBBTISUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2.2ClH/c1-5-17(6-2)15-11-13(9-10-16)7-8-14(15)12(3)4;;/h7-8,11-12H,5-6,9-10,16H2,1-4H3;2*1H.
What are the key properties of 5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride?
5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride has a molecular weight of 307.31 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride is sourced from PubChem (CID 70562248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).