N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine

C16H27NO2 — CID 65303024

IUPACN-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCOc1ccc(CCOCCNCC(C)C)cc1C
InChIInChI=1S/C16H27NO2/c1-13(2)12-17-8-10-19-9-7-15-5-6-16(18-4)14(3)11-15/h5-6,11,13,17H,7-10,12H2,1-4H3
InChIKeyCYLJKWLKLFEGMQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.81
Rot. Bonds9

About N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine

N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine (PubChem CID 65303024) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
PubChem CID65303024
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCOc1ccc(CCOCCNCC(C)C)cc1C
InChIInChI=1S/C16H27NO2/c1-13(2)12-17-8-10-19-9-7-15-5-6-16(18-4)14(3)11-15/h5-6,11,13,17H,7-10,12H2,1-4H3
InChIKeyCYLJKWLKLFEGMQ-UHFFFAOYSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.81
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-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
CID 65303172
N-ethyl-2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethanamine
CID 65303073
N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 64867078
2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol
CID 115252188
2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine
CID 65303014
N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305186
N-[(4-methoxy-3-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 43233324
N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine
CID 65303163
2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine
CID 65303572
N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine
CID 98014025
5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303977
5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305492

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine (CID 65303024) is N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine is COc1ccc(CCOCCNCC(C)C)cc1C.
What is the InChIKey of N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine?
The InChIKey is CYLJKWLKLFEGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)12-17-8-10-19-9-7-15-5-6-16(18-4)14(3)11-15/h5-6,11,13,17H,7-10,12H2,1-4H3.
What are the key properties of N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine?
N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65303024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).