N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine

C16H27NO2 — CID 83152328

IUPACN-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OC)c1OCCCC(C)C
InChIInChI=1S/C16H27NO2/c1-5-17-12-14-9-6-10-15(18-4)16(14)19-11-7-8-13(2)3/h6,9-10,13,17H,5,7-8,11-12H2,1-4H3
InChIKeyHXTQMQUJCCHRJZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.62
Rot. Bonds9

About N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine

N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine (PubChem CID 83152328) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine
PubChem CID83152328
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OC)c1OCCCC(C)C
InChIInChI=1S/C16H27NO2/c1-5-17-12-14-9-6-10-15(18-4)16(14)19-11-7-8-13(2)3/h6,9-10,13,17H,5,7-8,11-12H2,1-4H3
InChIKeyHXTQMQUJCCHRJZ-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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-[[3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449862
N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 81106283
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
CID 43471950
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206683
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43472032
1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
CID 60888804
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847891
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine (CID 83152328) is N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine is CCNCc1cccc(OC)c1OCCCC(C)C.
What is the InChIKey of N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine?
The InChIKey is HXTQMQUJCCHRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-17-12-14-9-6-10-15(18-4)16(14)19-11-7-8-13(2)3/h6,9-10,13,17H,5,7-8,11-12H2,1-4H3.
What are the key properties of N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine?
N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 83152328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).