4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol

C13H21ClN2O3 — CID 83943293

IUPAC4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol
SMILESCNC(CCN)C(O)c1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C13H21ClN2O3/c1-16-10(4-5-15)13(17)8-6-9(14)12(19-3)7-11(8)18-2/h6-7,10,13,16-17H,4-5,15H2,1-3H3
InChIKeyMRWYXQJHQXXRMV-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.33
Rot. Bonds7

About 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol

4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol (PubChem CID 83943293) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol
PubChem CID83943293
Molecular FormulaC13H21ClN2O3
Molecular Weight288.78 g/mol
Exact Mass288.12
IUPAC Name4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol
SMILESCNC(CCN)C(O)c1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C13H21ClN2O3/c1-16-10(4-5-15)13(17)8-6-9(14)12(19-3)7-11(8)18-2/h6-7,10,13,16-17H,4-5,15H2,1-3H3
InChIKeyMRWYXQJHQXXRMV-UHFFFAOYSA-N
XLogP1.33
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diol
CID 83943166
1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
CID 83943372
2,4-diamino-1-(2-chloro-4,5-dimethoxyphenyl)butan-1-ol
CID 83943587
4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol
CID 83942552
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol
CID 83943179
4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol
CID 83923208
4-amino-1-(3-bromo-4-ethoxyphenyl)-2-(methylamino)butan-1-ol
CID 83926197
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol
CID 83943374
3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol
CID 84784431
4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol
CID 83933860
1-(5-chloro-4-methoxy-2-methylphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948716

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol?
The IUPAC name of 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol (CID 83943293) is 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol is CNC(CCN)C(O)c1cc(Cl)c(OC)cc1OC.
What is the InChIKey of 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol?
The InChIKey is MRWYXQJHQXXRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3/c1-16-10(4-5-15)13(17)8-6-9(14)12(19-3)7-11(8)18-2/h6-7,10,13,16-17H,4-5,15H2,1-3H3.
What are the key properties of 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol?
4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol has a molecular weight of 288.78 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 83943293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).