N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride

C10H16ClNO — CID 17178031

IUPACN-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
SMILESCNCCOc1ccccc1C.Cl
InChIInChI=1S/C10H15NO.ClH/c1-9-5-3-4-6-10(9)12-8-7-11-2;/h3-6,11H,7-8H2,1-2H3;1H
InChIKeyCHTFUBDQHBEABQ-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.02
Rot. Bonds4

About N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride

N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride (PubChem CID 17178031) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
PubChem CID17178031
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC NameN-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
SMILESCNCCOc1ccccc1C.Cl
InChIInChI=1S/C10H15NO.ClH/c1-9-5-3-4-6-10(9)12-8-7-11-2;/h3-6,11H,7-8H2,1-2H3;1H
InChIKeyCHTFUBDQHBEABQ-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.02
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

2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
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4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252
2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661
2-(2-benzylphenoxy)-N-methylethanamine
CID 12660328
N-[2-(2-methylphenoxy)ethyl]prop-2-yn-1-amine
CID 60695074
2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
N-[2-(2-methylphenoxy)ethyl]pentan-1-amine
CID 60684172
N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine
CID 94681294
3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
CID 55024091
1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine
CID 60688548

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride (CID 17178031) is N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride is CNCCOc1ccccc1C.Cl.
What is the InChIKey of N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride?
The InChIKey is CHTFUBDQHBEABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-9-5-3-4-6-10(9)12-8-7-11-2;/h3-6,11H,7-8H2,1-2H3;1H.
What are the key properties of N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride?
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 17178031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).