2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride

C12H22Cl2N2O2 — CID 17294920

IUPAC2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
SMILESCOc1ccccc1CNCCNCCO.Cl.Cl
InChIInChI=1S/C12H20N2O2.2ClH/c1-16-12-5-3-2-4-11(12)10-14-7-6-13-8-9-15;;/h2-5,13-15H,6-10H2,1H3;2*1H
InChIKeyGYVYCUYFVRBGQX-UHFFFAOYSA-N
MW297.23 g/mol
LogP1.21
Rot. Bonds8

About 2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride

2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride (PubChem CID 17294920) has the molecular formula C12H22Cl2N2O2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
PubChem CID17294920
Molecular FormulaC12H22Cl2N2O2
Molecular Weight297.23 g/mol
Exact Mass296.11
IUPAC Name2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
SMILESCOc1ccccc1CNCCNCCO.Cl.Cl
InChIInChI=1S/C12H20N2O2.2ClH/c1-16-12-5-3-2-4-11(12)10-14-7-6-13-8-9-15;;/h2-5,13-15H,6-10H2,1H3;2*1H
InChIKeyGYVYCUYFVRBGQX-UHFFFAOYSA-N
XLogP1.21
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295831
2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
2-[(2,6-dimethoxyphenyl)methylamino]ethanol
CID 82673406
2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17213990
N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214523
3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83116563
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
CID 2951461
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride (CID 17294920) is 2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride is COc1ccccc1CNCCNCCO.Cl.Cl.
What is the InChIKey of 2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride?
The InChIKey is GYVYCUYFVRBGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.2ClH/c1-16-12-5-3-2-4-11(12)10-14-7-6-13-8-9-15;;/h2-5,13-15H,6-10H2,1H3;2*1H.
What are the key properties of 2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride?
2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride has a molecular weight of 297.23 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride is sourced from PubChem (CID 17294920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).