N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine

C15H25NO2 — CID 113253720

IUPACN-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCCOc1ccc(OC)cc1
InChIInChI=1S/C15H25NO2/c1-5-15(3,6-2)16-11-12-18-14-9-7-13(17-4)8-10-14/h7-10,16H,5-6,11-12H2,1-4H3
InChIKeyDXXOWMODIQMTAO-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.24
Rot. Bonds8

About N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine

N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine (PubChem CID 113253720) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine
PubChem CID113253720
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCCOc1ccc(OC)cc1
InChIInChI=1S/C15H25NO2/c1-5-15(3,6-2)16-11-12-18-14-9-7-13(17-4)8-10-14/h7-10,16H,5-6,11-12H2,1-4H3
InChIKeyDXXOWMODIQMTAO-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.24
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-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine
CID 106328670
2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol
CID 107865381
2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine
CID 113357130
4-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]ethoxy]benzoic acid
CID 106178163
1-[2-(4-methoxyphenoxy)ethylamino]-2-methylpropane-2-thiol
CID 13049074
4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
3-iodo-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 114503775
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
1-(2,2-dimethylbutoxy)-4-methoxybenzene
CID 70980088
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine (CID 113253720) is N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine is CCC(C)(CC)NCCOc1ccc(OC)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine?
The InChIKey is DXXOWMODIQMTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-15(3,6-2)16-11-12-18-14-9-7-13(17-4)8-10-14/h7-10,16H,5-6,11-12H2,1-4H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine?
N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine has a molecular weight of 251.37 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine is sourced from PubChem (CID 113253720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).