1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine

C16H27N3O — CID 62419745

IUPAC1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCCN1CCN(CCOc2cccc(CNC)c2)CC1
InChIInChI=1S/C16H27N3O/c1-3-18-7-9-19(10-8-18)11-12-20-16-6-4-5-15(13-16)14-17-2/h4-6,13,17H,3,7-12,14H2,1-2H3
InChIKeyRULNYQOEAOKHAR-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.42
Rot. Bonds7

About 1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine

1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 62419745) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID62419745
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCCN1CCN(CCOc2cccc(CNC)c2)CC1
InChIInChI=1S/C16H27N3O/c1-3-18-7-9-19(10-8-18)11-12-20-16-6-4-5-15(13-16)14-17-2/h4-6,13,17H,3,7-12,14H2,1-2H3
InChIKeyRULNYQOEAOKHAR-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[2-(3-propoxyphenoxy)ethyl]piperazine
CID 2215919
1-[3-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62432960
1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine
CID 64583405
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62438277
N-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 170714078
1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107395570
N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine
CID 116793642
1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62430706
N-methyl-1-[3-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethoxy]phenyl]methanamine
CID 106598180
N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
CID 141109153
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine (CID 62419745) is 1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine is CCN1CCN(CCOc2cccc(CNC)c2)CC1.
What is the InChIKey of 1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is RULNYQOEAOKHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-18-7-9-19(10-8-18)11-12-20-16-6-4-5-15(13-16)14-17-2/h4-6,13,17H,3,7-12,14H2,1-2H3.
What are the key properties of 1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 277.41 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62419745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).