1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine

C13H21NO2 — CID 60688548

IUPAC1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine
SMILESCOCC(C)NCCOc1ccccc1C
InChIInChI=1S/C13H21NO2/c1-11-6-4-5-7-13(11)16-9-8-14-12(2)10-15-3/h4-7,12,14H,8-10H2,1-3H3
InChIKeySXOBTGIZCPRNFO-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.00
Rot. Bonds7

About 1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine

1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine (PubChem CID 60688548) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine
PubChem CID60688548
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine
SMILESCOCC(C)NCCOc1ccccc1C
InChIInChI=1S/C13H21NO2/c1-11-6-4-5-7-13(11)16-9-8-14-12(2)10-15-3/h4-7,12,14H,8-10H2,1-3H3
InChIKeySXOBTGIZCPRNFO-UHFFFAOYSA-N
XLogP2.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.00
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

1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
CID 62572002
N-[2-(4-bromo-2-methylphenoxy)ethyl]-1-methoxypropan-2-amine
CID 55162498
1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine
CID 111235415
(2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
CID 164625864
1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
CID 164623376
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
(2R)-1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 791949
N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 55093203
N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688516
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661
N-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688624

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine (CID 60688548) is 1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine is COCC(C)NCCOc1ccccc1C.
What is the InChIKey of 1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine?
The InChIKey is SXOBTGIZCPRNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11-6-4-5-7-13(11)16-9-8-14-12(2)10-15-3/h4-7,12,14H,8-10H2,1-3H3.
What are the key properties of 1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine?
1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine is sourced from PubChem (CID 60688548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).