N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine

C15H25NO2 — CID 43191466

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1cc(OC)ccc1OC
InChIInChI=1S/C15H25NO2/c1-6-7-11(2)16-12(3)14-10-13(17-4)8-9-15(14)18-5/h8-12,16H,6-7H2,1-5H3
InChIKeyLOSPQJYMDBDBAO-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.54
Rot. Bonds7

About N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine

N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine (PubChem CID 43191466) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine
PubChem CID43191466
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1cc(OC)ccc1OC
InChIInChI=1S/C15H25NO2/c1-6-7-11(2)16-12(3)14-10-13(17-4)8-9-15(14)18-5/h8-12,16H,6-7H2,1-5H3
InChIKeyLOSPQJYMDBDBAO-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721915
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine
CID 115889887
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721691
2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944858
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
CID 82709740
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
(2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol
CID 97232591
2-(2,5-dimethoxyphenyl)hexan-3-amine
CID 83047231
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
2-[1-(hexan-2-ylamino)ethyl]-5-methoxyphenol
CID 62196423
1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
CID 82988193
N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine
CID 43734058

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine (CID 43191466) is N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine is CCCC(C)NC(C)c1cc(OC)ccc1OC.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine?
The InChIKey is LOSPQJYMDBDBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-7-11(2)16-12(3)14-10-13(17-4)8-9-15(14)18-5/h8-12,16H,6-7H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine?
N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine is sourced from PubChem (CID 43191466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).