2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol

C13H22N2O2 — CID 83927786

IUPAC2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
SMILESCOc1cc(C)c(C(O)C(N)CCN)cc1C
InChIInChI=1S/C13H22N2O2/c1-8-7-12(17-3)9(2)6-10(8)13(16)11(15)4-5-14/h6-7,11,13,16H,4-5,14-15H2,1-3H3
InChIKeyABEHJSBTUMNBHJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.02
Rot. Bonds5

About 2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol

2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol (PubChem CID 83927786) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
PubChem CID83927786
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
SMILESCOc1cc(C)c(C(O)C(N)CCN)cc1C
InChIInChI=1S/C13H22N2O2/c1-8-7-12(17-3)9(2)6-10(8)13(16)11(15)4-5-14/h6-7,11,13,16H,4-5,14-15H2,1-3H3
InChIKeyABEHJSBTUMNBHJ-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
2,4-diamino-1-(2-chloro-4,5-dimethoxyphenyl)butan-1-ol
CID 83943587
ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate
CID 171866438
methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate
CID 82350031
1-(4-methoxy-2,5-dimethylphenyl)-4-(methylamino)butane-1,2-diol
CID 171890556
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
3-amino-4-hydroxy-4-(2-methoxy-4,5-dimethylphenyl)butanoic acid
CID 82350007
methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine
CID 83927774
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol?
The IUPAC name of 2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol (CID 83927786) is 2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol.
What is the SMILES notation for 2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol?
The canonical SMILES for 2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol is COc1cc(C)c(C(O)C(N)CCN)cc1C.
What is the InChIKey of 2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol?
The InChIKey is ABEHJSBTUMNBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8-7-12(17-3)9(2)6-10(8)13(16)11(15)4-5-14/h6-7,11,13,16H,4-5,14-15H2,1-3H3.
What are the key properties of 2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol?
2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol is sourced from PubChem (CID 83927786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).