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

C13H22N2O2 — CID 116942352

IUPAC2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
SMILESCOc1ccc(C(C)C)cc1C(N)C(N)CO
InChIInChI=1S/C13H22N2O2/c1-8(2)9-4-5-12(17-3)10(6-9)13(15)11(14)7-16/h4-6,8,11,13,16H,7,14-15H2,1-3H3
InChIKeyUNMBMUBFTZUQRQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.14
Rot. Bonds5

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

2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol (PubChem CID 116942352) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
PubChem CID116942352
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
SMILESCOc1ccc(C(C)C)cc1C(N)C(N)CO
InChIInChI=1S/C13H22N2O2/c1-8(2)9-4-5-12(17-3)10(6-9)13(15)11(14)7-16/h4-6,8,11,13,16H,7,14-15H2,1-3H3
InChIKeyUNMBMUBFTZUQRQ-UHFFFAOYSA-N
XLogP1.14
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
ethyl (3S)-3-amino-2-fluoro-3-(2-methoxy-5-propan-2-ylphenyl)propanoate;hydrochloride
CID 171251861
2-amino-1-(2-methoxy-5-propan-2-ylphenyl)ethanethiol
CID 116868593
2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol
CID 116942367
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
CID 171216479
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine
CID 171216475
hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947422
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024
(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171236084

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol (CID 116942352) is 2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol is COc1ccc(C(C)C)cc1C(N)C(N)CO.
What is the InChIKey of 2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol?
The InChIKey is UNMBMUBFTZUQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(2)9-4-5-12(17-3)10(6-9)13(15)11(14)7-16/h4-6,8,11,13,16H,7,14-15H2,1-3H3.
What are the key properties of 2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol?
2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.14, 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-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 116942352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).