N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine

C16H27N3O — CID 62438685

IUPACN-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCN1CCN(C)CC1
InChIInChI=1S/C16H27N3O/c1-3-17-14-15-6-4-5-7-16(15)20-13-12-19-10-8-18(2)9-11-19/h4-7,17H,3,8-14H2,1-2H3
InChIKeyOFLSIRSEEKLLCT-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.42
Rot. Bonds7

About N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine

N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 62438685) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID62438685
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCN1CCN(C)CC1
InChIInChI=1S/C16H27N3O/c1-3-17-14-15-6-4-5-7-16(15)20-13-12-19-10-8-18(2)9-11-19/h4-7,17H,3,8-14H2,1-2H3
InChIKeyOFLSIRSEEKLLCT-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

N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62438868
N-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 79184613
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol
CID 2996618
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
CID 2996491
1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine
CID 77088646
N-[[2-bromo-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 82886078
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
ethyl 2-amino-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanoate
CID 170886092
ethyl 2-hydroxy-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanoate
CID 150933109
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine (CID 62438685) is N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1ccccc1OCCN1CCN(C)CC1.
What is the InChIKey of N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is OFLSIRSEEKLLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-17-14-15-6-4-5-7-16(15)20-13-12-19-10-8-18(2)9-11-19/h4-7,17H,3,8-14H2,1-2H3.
What are the key properties of N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine 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 N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 62438685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).