2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride

C10H14Cl3NO — CID 44828457

IUPAC2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride
SMILESCNCCOc1c(C)cc(Cl)cc1Cl.Cl
InChIInChI=1S/C10H13Cl2NO.ClH/c1-7-5-8(11)6-9(12)10(7)14-4-3-13-2;/h5-6,13H,3-4H2,1-2H3;1H
InChIKeyBAAMEVMFDHTLFM-UHFFFAOYSA-N
MW270.59 g/mol
LogP3.32
Rot. Bonds4

About 2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride

2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride (PubChem CID 44828457) has the molecular formula C10H14Cl3NO and a molecular weight of 270.59 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride
PubChem CID44828457
Molecular FormulaC10H14Cl3NO
Molecular Weight270.59 g/mol
Exact Mass269.01
IUPAC Name2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride
SMILESCNCCOc1c(C)cc(Cl)cc1Cl.Cl
InChIInChI=1S/C10H13Cl2NO.ClH/c1-7-5-8(11)6-9(12)10(7)14-4-3-13-2;/h5-6,13H,3-4H2,1-2H3;1H
InChIKeyBAAMEVMFDHTLFM-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.59
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
1,5-dichloro-2-[3-(4-methoxyphenoxy)propoxy]-3-methylbenzene
CID 4302361
2-(2,4-dichloro-6-methylphenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 142230559
1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene
CID 130766678
1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium
CID 7460460
N-[2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine;oxalic acid
CID 2869711
2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine
CID 83893095
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine
CID 63507030
1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene
CID 2284246
3-(4-bromo-2,6-dimethylphenoxy)-N-methylpropan-1-amine
CID 27047233
N-[2-(2,4,6-trichlorophenoxy)ethyl]pentan-3-amine
CID 63505056
N-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]prop-2-en-1-amine;hydrochloride
CID 2994493

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride?
The IUPAC name of 2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride (CID 44828457) is 2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride is CNCCOc1c(C)cc(Cl)cc1Cl.Cl.
What is the InChIKey of 2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride?
The InChIKey is BAAMEVMFDHTLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO.ClH/c1-7-5-8(11)6-9(12)10(7)14-4-3-13-2;/h5-6,13H,3-4H2,1-2H3;1H.
What are the key properties of 2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride?
2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride has a molecular weight of 270.59 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 44828457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).