2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine

C16H27NO2 — CID 65304490

IUPAC2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine
SMILESCOCCNCCOCCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-14(2)16-6-4-15(5-7-16)8-11-19-13-10-17-9-12-18-3/h4-7,14,17H,8-13H2,1-3H3
InChIKeyKYQUMBCOPUHJGP-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.61
Rot. Bonds10

About 2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine

2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine (PubChem CID 65304490) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine
PubChem CID65304490
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine
SMILESCOCCNCCOCCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-14(2)16-6-4-15(5-7-16)8-11-19-13-10-17-9-12-18-3/h4-7,14,17H,8-13H2,1-3H3
InChIKeyKYQUMBCOPUHJGP-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine
CID 115483390
N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine
CID 65303301
2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 65023956
4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 115600157
1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one
CID 116591634
N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine
CID 170953319
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63503350
1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene
CID 15271907
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83150803
3-(2-methoxyethylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109015241
N-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)pent-3-en-1-amine
CID 79607909

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine?
The IUPAC name of 2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine (CID 65304490) is 2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine is COCCNCCOCCc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine?
The InChIKey is KYQUMBCOPUHJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-14(2)16-6-4-15(5-7-16)8-11-19-13-10-17-9-12-18-3/h4-7,14,17H,8-13H2,1-3H3.
What are the key properties of 2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine?
2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine is sourced from PubChem (CID 65304490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).