5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine

C16H27NO2 — CID 65304513

IUPAC5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine
SMILESCCNCCC(C)CCc1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO2/c1-5-17-11-10-13(2)6-7-14-12-15(18-3)8-9-16(14)19-4/h8-9,12-13,17H,5-7,10-11H2,1-4H3
InChIKeyDAUMNLCNTJVEHA-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.27
Rot. Bonds9

About 5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine

5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine (PubChem CID 65304513) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine
PubChem CID65304513
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine
SMILESCCNCCC(C)CCc1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO2/c1-5-17-11-10-13(2)6-7-14-12-15(18-3)8-9-16(14)19-4/h8-9,12-13,17H,5-7,10-11H2,1-4H3
InChIKeyDAUMNLCNTJVEHA-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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

5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 65304123
5-(2-methoxy-5-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303647
N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 39245762
5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 104544669
N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227129
N-[(2,5-dimethoxyphenyl)methyl]-3-methylsulfanylbutan-1-amine
CID 115604383
N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane
CID 142573770
N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine
CID 82553016
1-[2-(2,5-dimethoxyphenyl)ethyl]-3-ethyl-2-(3-methylbutyl)guanidine;hydroiodide
CID 110977290
3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 64664546
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine (CID 65304513) is 5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine is CCNCCC(C)CCc1cc(OC)ccc1OC.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine?
The InChIKey is DAUMNLCNTJVEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-17-11-10-13(2)6-7-14-12-15(18-3)8-9-16(14)19-4/h8-9,12-13,17H,5-7,10-11H2,1-4H3.
What are the key properties of 5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine?
5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine is sourced from PubChem (CID 65304513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).