N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride

C11H16Cl3NO2 — CID 17294438

IUPACN-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCOCCNCc1cc(Cl)cc(Cl)c1OC.Cl
InChIInChI=1S/C11H15Cl2NO2.ClH/c1-15-4-3-14-7-8-5-9(12)6-10(13)11(8)16-2;/h5-6,14H,3-4,7H2,1-2H3;1H
InChIKeyQRELRLLWXFFMQG-UHFFFAOYSA-N
MW300.61 g/mol
LogP3.16
Rot. Bonds6

About N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride

N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride (PubChem CID 17294438) has the molecular formula C11H16Cl3NO2 and a molecular weight of 300.61 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
PubChem CID17294438
Molecular FormulaC11H16Cl3NO2
Molecular Weight300.61 g/mol
Exact Mass299.02
IUPAC NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCOCCNCc1cc(Cl)cc(Cl)c1OC.Cl
InChIInChI=1S/C11H15Cl2NO2.ClH/c1-15-4-3-14-7-8-5-9(12)6-10(13)11(8)16-2;/h5-6,14H,3-4,7H2,1-2H3;1H
InChIKeyQRELRLLWXFFMQG-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.61
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
CID 11957133
2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058152
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577
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
1,5-dichloro-3-(2-chloroethyl)-2-methoxybenzene
CID 82477195
N'-(2-chloro-4-nitrophenyl)-N-[(3,5-dichloro-2-methoxyphenyl)methyl]ethane-1,2-diamine;hydrochloride
CID 17294090
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
N-[[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]methyl]-2-methoxyethanamine
CID 106437144
3-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
CID 104665187
2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
CID 104665197

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?
The IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride (CID 17294438) is N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride.
What is the SMILES notation for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?
The canonical SMILES for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride is COCCNCc1cc(Cl)cc(Cl)c1OC.Cl.
What is the InChIKey of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?
The InChIKey is QRELRLLWXFFMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2.ClH/c1-15-4-3-14-7-8-5-9(12)6-10(13)11(8)16-2;/h5-6,14H,3-4,7H2,1-2H3;1H.
What are the key properties of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride has a molecular weight of 300.61 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride is sourced from PubChem (CID 17294438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).