1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol

C15H25N3O2 — CID 83021665

IUPAC1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol
SMILESCOc1ccc(C)cc1C(O)CNN1CCN(C)CC1
InChIInChI=1S/C15H25N3O2/c1-12-4-5-15(20-3)13(10-12)14(19)11-16-18-8-6-17(2)7-9-18/h4-5,10,14,16,19H,6-9,11H2,1-3H3
InChIKeyLXHLEYYUJGIVBY-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.79
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol

1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol (PubChem CID 83021665) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol
PubChem CID83021665
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol
SMILESCOc1ccc(C)cc1C(O)CNN1CCN(C)CC1
InChIInChI=1S/C15H25N3O2/c1-12-4-5-15(20-3)13(10-12)14(19)11-16-18-8-6-17(2)7-9-18/h4-5,10,14,16,19H,6-9,11H2,1-3H3
InChIKeyLXHLEYYUJGIVBY-UHFFFAOYSA-N
XLogP0.79
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol 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

2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 106256675
2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82303447
1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408941
2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 60910310
1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127
1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073865
methyl 4-hydroxy-4-(2-methoxy-5-methylphenyl)butanoate
CID 82347001
1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol
CID 60900549
2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60896859
1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol
CID 60909056
1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 65108728

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol (CID 83021665) is 1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol is COc1ccc(C)cc1C(O)CNN1CCN(C)CC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol?
The InChIKey is LXHLEYYUJGIVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12-4-5-15(20-3)13(10-12)14(19)11-16-18-8-6-17(2)7-9-18/h4-5,10,14,16,19H,6-9,11H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol?
1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol has a molecular weight of 279.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol is sourced from PubChem (CID 83021665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).