2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride

C10H18Cl2N2O2 — CID 46786149

IUPAC2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
SMILESCl.Cl.NCCOc1ccc(OCCN)cc1
InChIInChI=1S/C10H16N2O2.2ClH/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12;;/h1-4H,5-8,11-12H2;2*1H
InChIKeyVTYFZRXJNGZZQK-UHFFFAOYSA-N
MW269.17 g/mol
LogP1.21
Rot. Bonds6

About 2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride

2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride (PubChem CID 46786149) has the molecular formula C10H18Cl2N2O2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
PubChem CID46786149
Molecular FormulaC10H18Cl2N2O2
Molecular Weight269.17 g/mol
Exact Mass268.07
IUPAC Name2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
SMILESCl.Cl.NCCOc1ccc(OCCN)cc1
InChIInChI=1S/C10H16N2O2.2ClH/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12;;/h1-4H,5-8,11-12H2;2*1H
InChIKeyVTYFZRXJNGZZQK-UHFFFAOYSA-N
XLogP1.21
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride
CID 135364402
2-[4-[5,8,11,20-tetrakis[4-(2-aminoethoxy)phenyl]-2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaenyl]phenoxy]ethanamine
CID 176747721
2-[4-(2-methylpropyl)phenoxy]ethanamine
CID 96670599
2-(4-heptylphenoxy)ethanamine;hydrochloride
CID 164576424
2-[4-(1,2-thiazol-5-yl)phenoxy]ethanamine
CID 141050819
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrochloride
CID 88770124
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
2-(4-cyclohexylphenoxy)ethanamine
CID 542015
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride
CID 45260071
methyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride
CID 23146063

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride?
The IUPAC name of 2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride (CID 46786149) is 2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride.
What is the SMILES notation for 2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride?
The canonical SMILES for 2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride is Cl.Cl.NCCOc1ccc(OCCN)cc1.
What is the InChIKey of 2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride?
The InChIKey is VTYFZRXJNGZZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.2ClH/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12;;/h1-4H,5-8,11-12H2;2*1H.
What are the key properties of 2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride?
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride has a molecular weight of 269.17 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride is sourced from PubChem (CID 46786149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).