1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride

C10H18Cl2N2O2 — CID 23622432

IUPAC1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride
SMILESCC(N)Oc1cccc(OC(C)N)c1.Cl.Cl
InChIInChI=1S/C10H16N2O2.2ClH/c1-7(11)13-9-4-3-5-10(6-9)14-8(2)12;;/h3-8H,11-12H2,1-2H3;2*1H
InChIKeySZBZKNHCLHLPJA-UHFFFAOYSA-N
MW269.17 g/mol
LogP1.90
Rot. Bonds4

About 1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride

1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride (PubChem CID 23622432) has the molecular formula C10H18Cl2N2O2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride
PubChem CID23622432
Molecular FormulaC10H18Cl2N2O2
Molecular Weight269.17 g/mol
Exact Mass268.07
IUPAC Name1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride
SMILESCC(N)Oc1cccc(OC(C)N)c1.Cl.Cl
InChIInChI=1S/C10H16N2O2.2ClH/c1-7(11)13-9-4-3-5-10(6-9)14-8(2)12;;/h3-8H,11-12H2,1-2H3;2*1H
InChIKeySZBZKNHCLHLPJA-UHFFFAOYSA-N
XLogP1.90
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(1-aminopropoxy)phenoxy]propan-1-amine
CID 21123306
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine
CID 174527116
1,3-di(pentan-3-yloxy)benzene
CID 91386050
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
1-[3-[(2-methylpropan-2-yl)oxy]phenoxy]propan-1-amine
CID 67825712
1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine
CID 117052163
(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine
CID 28744549
(1R)-1-[3-(difluoromethoxy)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171206124
1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine
CID 170389273
1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020131

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride?
The IUPAC name of 1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride (CID 23622432) is 1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride.
What is the SMILES notation for 1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride?
The canonical SMILES for 1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride is CC(N)Oc1cccc(OC(C)N)c1.Cl.Cl.
What is the InChIKey of 1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride?
The InChIKey is SZBZKNHCLHLPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.2ClH/c1-7(11)13-9-4-3-5-10(6-9)14-8(2)12;;/h3-8H,11-12H2,1-2H3;2*1H.
What are the key properties of 1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride?
1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride has a molecular weight of 269.17 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride is sourced from PubChem (CID 23622432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).