2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol

C14H24N2O2 — CID 116942367

IUPAC2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol
SMILESCOc1cc(C)c(C(N)C(N)CO)cc1C(C)C
InChIInChI=1S/C14H24N2O2/c1-8(2)10-6-11(14(16)12(15)7-17)9(3)5-13(10)18-4/h5-6,8,12,14,17H,7,15-16H2,1-4H3
InChIKeyONDJIFMCAHWQOR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.45
Rot. Bonds5

About 2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol

2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol (PubChem CID 116942367) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol
PubChem CID116942367
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol
SMILESCOc1cc(C)c(C(N)C(N)CO)cc1C(C)C
InChIInChI=1S/C14H24N2O2/c1-8(2)10-6-11(14(16)12(15)7-17)9(3)5-13(10)18-4/h5-6,8,12,14,17H,7,15-16H2,1-4H3
InChIKeyONDJIFMCAHWQOR-UHFFFAOYSA-N
XLogP1.45
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol 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-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 116934324
2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 116942352
3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116848764
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol
CID 116829986
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethylhydrazine
CID 82473084
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(1-methylcyclopropyl)methanamine
CID 82296040
2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine
CID 69279572
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954652
2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol
CID 116942340
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935315
2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol
CID 105424343

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol (CID 116942367) is 2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol is COc1cc(C)c(C(N)C(N)CO)cc1C(C)C.
What is the InChIKey of 2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol?
The InChIKey is ONDJIFMCAHWQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-8(2)10-6-11(14(16)12(15)7-17)9(3)5-13(10)18-4/h5-6,8,12,14,17H,7,15-16H2,1-4H3.
What are the key properties of 2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol?
2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 116942367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).