1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine

C16H27N3O — CID 114537738

IUPAC1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
SMILESCOc1cccc(C(N)CN2CC(C)N(C)C(C)C2)c1
InChIInChI=1S/C16H27N3O/c1-12-9-19(10-13(2)18(12)3)11-16(17)14-6-5-7-15(8-14)20-4/h5-8,12-13,16H,9-11,17H2,1-4H3
InChIKeyUBJXGCMMDPWPGG-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.72
Rot. Bonds4

About 1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine

1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine (PubChem CID 114537738) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
PubChem CID114537738
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
SMILESCOc1cccc(C(N)CN2CC(C)N(C)C(C)C2)c1
InChIInChI=1S/C16H27N3O/c1-12-9-19(10-13(2)18(12)3)11-16(17)14-6-5-7-15(8-14)20-4/h5-8,12-13,16H,9-11,17H2,1-4H3
InChIKeyUBJXGCMMDPWPGG-UHFFFAOYSA-N
XLogP1.72
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)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

1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55249009
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine
CID 79938583
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16786895
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 16788275
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
CID 174368771
1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 80580468
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine
CID 65320749
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine
CID 55161156

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine (CID 114537738) is 1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine is COc1cccc(C(N)CN2CC(C)N(C)C(C)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The InChIKey is UBJXGCMMDPWPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12-9-19(10-13(2)18(12)3)11-16(17)14-6-5-7-15(8-14)20-4/h5-8,12-13,16H,9-11,17H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 114537738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).