N-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine

C16H22N2O — CID 79101416

IUPACN-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine
SMILESCCOc1ccc(C(C)Nn2c(C)ccc2C)cc1
InChIInChI=1S/C16H22N2O/c1-5-19-16-10-8-15(9-11-16)14(4)17-18-12(2)6-7-13(18)3/h6-11,14,17H,5H2,1-4H3
InChIKeyKSEVDEZBXOVBAA-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.81
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine

N-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine (PubChem CID 79101416) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine
PubChem CID79101416
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine
SMILESCCOc1ccc(C(C)Nn2c(C)ccc2C)cc1
InChIInChI=1S/C16H22N2O/c1-5-19-16-10-8-15(9-11-16)14(4)17-18-12(2)6-7-13(18)3/h6-11,14,17H,5H2,1-4H3
InChIKeyKSEVDEZBXOVBAA-UHFFFAOYSA-N
XLogP3.81
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine
CID 83009089
N-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83007714
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719782
N-[1-(4-ethoxyphenyl)ethyl]pentan-2-amine
CID 43191473
N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 43734730
N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43788964
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline
CID 107597432
3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline
CID 107630164
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646
(2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol
CID 103784132

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine (CID 79101416) is N-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine is CCOc1ccc(C(C)Nn2c(C)ccc2C)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
The InChIKey is KSEVDEZBXOVBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-19-16-10-8-15(9-11-16)14(4)17-18-12(2)6-7-13(18)3/h6-11,14,17H,5H2,1-4H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
N-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79101416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).