2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride

C12H19Cl3N2O2 — CID 11957133

IUPAC2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
SMILESCOc1c(Cl)cc(Cl)cc1CNCCNCCO.Cl
InChIInChI=1S/C12H18Cl2N2O2.ClH/c1-18-12-9(6-10(13)7-11(12)14)8-16-3-2-15-4-5-17;/h6-7,15-17H,2-5,8H2,1H3;1H
InChIKeyVYROEHVLQOPGOX-UHFFFAOYSA-N
MW329.66 g/mol
LogP2.10
Rot. Bonds8

About 2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride

2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride (PubChem CID 11957133) has the molecular formula C12H19Cl3N2O2 and a molecular weight of 329.66 g/mol. Its IUPAC name is 2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
PubChem CID11957133
Molecular FormulaC12H19Cl3N2O2
Molecular Weight329.66 g/mol
Exact Mass328.05
IUPAC Name2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
SMILESCOc1c(Cl)cc(Cl)cc1CNCCNCCO.Cl
InChIInChI=1S/C12H18Cl2N2O2.ClH/c1-18-12-9(6-10(13)7-11(12)14)8-16-3-2-15-4-5-17;/h6-7,15-17H,2-5,8H2,1H3;1H
InChIKeyVYROEHVLQOPGOX-UHFFFAOYSA-N
XLogP2.10
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.66
LogP ≤ 52.10
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

N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294438
2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058152
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2996897
methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate
CID 110782986
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17290053
N'-(2-chloro-4-nitrophenyl)-N-[(3,5-dichloro-2-methoxyphenyl)methyl]ethane-1,2-diamine;hydrochloride
CID 17294090
[1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol
CID 75494808
4-[[(3,5-dichloro-2-methoxyphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6461452
N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193602
2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
CID 96658307

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride?
The IUPAC name of 2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride (CID 11957133) is 2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride is COc1c(Cl)cc(Cl)cc1CNCCNCCO.Cl.
What is the InChIKey of 2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride?
The InChIKey is VYROEHVLQOPGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2.ClH/c1-18-12-9(6-10(13)7-11(12)14)8-16-3-2-15-4-5-17;/h6-7,15-17H,2-5,8H2,1H3;1H.
What are the key properties of 2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride?
2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride has a molecular weight of 329.66 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride is sourced from PubChem (CID 11957133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).