2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine

C16H27NO2 — CID 103984660

IUPAC2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine
SMILESCCOCC(CNCCOC)Cc1ccccc1C
InChIInChI=1S/C16H27NO2/c1-4-19-13-15(12-17-9-10-18-3)11-16-8-6-5-7-14(16)2/h5-8,15,17H,4,9-13H2,1-3H3
InChIKeyXHIRPSPBCMOUIG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.43
Rot. Bonds10

About 2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine

2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine (PubChem CID 103984660) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine
PubChem CID103984660
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine
SMILESCCOCC(CNCCOC)Cc1ccccc1C
InChIInChI=1S/C16H27NO2/c1-4-19-13-15(12-17-9-10-18-3)11-16-8-6-5-7-14(16)2/h5-8,15,17H,4,9-13H2,1-3H3
InChIKeyXHIRPSPBCMOUIG-UHFFFAOYSA-N
XLogP2.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.43
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

N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
CID 83148264
5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine
CID 55083208
N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine
CID 62718997
2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984662
2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984194
2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
CID 113361847
N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine
CID 103183382
2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 103984383
2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 82926038
N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984387
2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 106930678
2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 103984391

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine (CID 103984660) is 2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine is CCOCC(CNCCOC)Cc1ccccc1C.
What is the InChIKey of 2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine?
The InChIKey is XHIRPSPBCMOUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-19-13-15(12-17-9-10-18-3)11-16-8-6-5-7-14(16)2/h5-8,15,17H,4,9-13H2,1-3H3.
What are the key properties of 2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine?
2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 103984660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).