[5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine

C15H25N3O2 — CID 82889010

IUPAC[5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine
SMILESCOc1ccc(OCCN2CCN(C)CC2)c(CN)c1
InChIInChI=1S/C15H25N3O2/c1-17-5-7-18(8-6-17)9-10-20-15-4-3-14(19-2)11-13(15)12-16/h3-4,11H,5-10,12,16H2,1-2H3
InChIKeyZHZHNLJIPQTTBD-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.78
Rot. Bonds6

About [5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine

[5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine (PubChem CID 82889010) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine
PubChem CID82889010
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine
SMILESCOc1ccc(OCCN2CCN(C)CC2)c(CN)c1
InChIInChI=1S/C15H25N3O2/c1-17-5-7-18(8-6-17)9-10-20-15-4-3-14(19-2)11-13(15)12-16/h3-4,11H,5-10,12,16H2,1-2H3
InChIKeyZHZHNLJIPQTTBD-UHFFFAOYSA-N
XLogP0.78
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60879649
1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine
CID 60905233
1-[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60878143
1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 82886096
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60878304
3-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-amine
CID 104706985
2-[2-(aminomethyl)-4-methoxyphenoxy]-N,N-diethylethanamine
CID 43268159
1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 61493815
[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572
1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-methylpiperazine
CID 171115656
[5-methoxy-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanamine
CID 61490995

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine (CID 82889010) is [5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine is COc1ccc(OCCN2CCN(C)CC2)c(CN)c1.
What is the InChIKey of [5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine?
The InChIKey is ZHZHNLJIPQTTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-17-5-7-18(8-6-17)9-10-20-15-4-3-14(19-2)11-13(15)12-16/h3-4,11H,5-10,12,16H2,1-2H3.
What are the key properties of [5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine?
[5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine has a molecular weight of 279.38 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 82889010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).