N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine

C21H31N3O2 — CID 131906495

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine
SMILESCc1ccc(CN(C)Cc2ccccc2OCCN2CCN(C)CC2)o1
InChIInChI=1S/C21H31N3O2/c1-18-8-9-20(26-18)17-23(3)16-19-6-4-5-7-21(19)25-15-14-24-12-10-22(2)11-13-24/h4-9H,10-17H2,1-3H3
InChIKeyYLWZNXXWHNNAFD-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.85
Rot. Bonds8

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine (PubChem CID 131906495) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine
PubChem CID131906495
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine
SMILESCc1ccc(CN(C)Cc2ccccc2OCCN2CCN(C)CC2)o1
InChIInChI=1S/C21H31N3O2/c1-18-8-9-20(26-18)17-23(3)16-19-6-4-5-7-21(19)25-15-14-24-12-10-22(2)11-13-24/h4-9H,10-17H2,1-3H3
InChIKeyYLWZNXXWHNNAFD-UHFFFAOYSA-N
XLogP2.85
TPSA32.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62438685
(1S)-N-methyl-N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]-1-pyrimidin-4-ylethanamine
CID 99930677
1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
CID 2996491
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62438868
N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 170866493
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol
CID 2996618
1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine
CID 77088646
ethyl 2-hydroxy-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanoate
CID 150933109

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine (CID 131906495) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine is Cc1ccc(CN(C)Cc2ccccc2OCCN2CCN(C)CC2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine?
The InChIKey is YLWZNXXWHNNAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-18-8-9-20(26-18)17-23(3)16-19-6-4-5-7-21(19)25-15-14-24-12-10-22(2)11-13-24/h4-9H,10-17H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine has a molecular weight of 357.50 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 131906495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).