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

C16H27N3O — CID 82889440

IUPAC(1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
SMILESCc1ccc([C@@H](C)N)c(OCCN2CCN(C)CC2)c1
InChIInChI=1S/C16H27N3O/c1-13-4-5-15(14(2)17)16(12-13)20-11-10-19-8-6-18(3)7-9-19/h4-5,12,14H,6-11,17H2,1-3H3/t14-/m1/s1
InChIKeyVINIDXIAHSSTKU-CQSZACIVSA-N
MW277.41 g/mol
LogP1.64
Rot. Bonds5

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

(1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine (PubChem CID 82889440) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
PubChem CID82889440
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
SMILESCc1ccc([C@@H](C)N)c(OCCN2CCN(C)CC2)c1
InChIInChI=1S/C16H27N3O/c1-13-4-5-15(14(2)17)16(12-13)20-11-10-19-8-6-18(3)7-9-19/h4-5,12,14H,6-11,17H2,1-3H3/t14-/m1/s1
InChIKeyVINIDXIAHSSTKU-CQSZACIVSA-N
XLogP1.64
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 63650259
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 82889522
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
(1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 63650094
1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine
CID 14519632
(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine
CID 78946993
(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
CID 63639630
(1S)-1-[4-bromo-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanol
CID 102949111
1-[4-bromo-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanol
CID 102948295
2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 2944173
2-[2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]ethoxy]ethanol
CID 63650862

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine (CID 82889440) is (1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine is Cc1ccc([C@@H](C)N)c(OCCN2CCN(C)CC2)c1.
What is the InChIKey of (1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine?
The InChIKey is VINIDXIAHSSTKU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13-4-5-15(14(2)17)16(12-13)20-11-10-19-8-6-18(3)7-9-19/h4-5,12,14H,6-11,17H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine?
(1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 82889440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).