5-amino-4-(2,3-dichlorophenyl)pentan-2-ol

C11H15Cl2NO — CID 81422224

IUPAC5-amino-4-(2,3-dichlorophenyl)pentan-2-ol
SMILESCC(O)CC(CN)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO/c1-7(15)5-8(6-14)9-3-2-4-10(12)11(9)13/h2-4,7-8,15H,5-6,14H2,1H3
InChIKeyNUGSRVUOYRFGAI-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.81
Rot. Bonds4

About 5-amino-4-(2,3-dichlorophenyl)pentan-2-ol

5-amino-4-(2,3-dichlorophenyl)pentan-2-ol (PubChem CID 81422224) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 5-amino-4-(2,3-dichlorophenyl)pentan-2-ol.

Molecular Properties

Compound Name5-amino-4-(2,3-dichlorophenyl)pentan-2-ol
PubChem CID81422224
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name5-amino-4-(2,3-dichlorophenyl)pentan-2-ol
SMILESCC(O)CC(CN)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO/c1-7(15)5-8(6-14)9-3-2-4-10(12)11(9)13/h2-4,7-8,15H,5-6,14H2,1H3
InChIKeyNUGSRVUOYRFGAI-UHFFFAOYSA-N
XLogP2.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol
CID 65187721
5-amino-4-(2-fluorophenyl)pentan-2-ol
CID 81422471
3-amino-1-(2,3-dichlorophenyl)propane-1,2-diol
CID 170827625
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol
CID 83924659
1,2-dichloro-3-pentan-3-ylbenzene
CID 67478357
2-(2,3-dichlorophenyl)-3-(3,5-dimethylphenyl)propan-1-amine
CID 83975793
5-(2,3-dichlorophenyl)hexane-2,3-diol
CID 83924753
(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride
CID 171162648
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentanoic acid
CID 69269444
4-amino-1-(2,3-dichlorophenyl)butan-1-ol
CID 54426127
2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 83975783

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,3-dichlorophenyl)pentan-2-ol?
The IUPAC name of 5-amino-4-(2,3-dichlorophenyl)pentan-2-ol (CID 81422224) is 5-amino-4-(2,3-dichlorophenyl)pentan-2-ol.
What is the SMILES notation for 5-amino-4-(2,3-dichlorophenyl)pentan-2-ol?
The canonical SMILES for 5-amino-4-(2,3-dichlorophenyl)pentan-2-ol is CC(O)CC(CN)c1cccc(Cl)c1Cl.
What is the InChIKey of 5-amino-4-(2,3-dichlorophenyl)pentan-2-ol?
The InChIKey is NUGSRVUOYRFGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-7(15)5-8(6-14)9-3-2-4-10(12)11(9)13/h2-4,7-8,15H,5-6,14H2,1H3.
What are the key properties of 5-amino-4-(2,3-dichlorophenyl)pentan-2-ol?
5-amino-4-(2,3-dichlorophenyl)pentan-2-ol has a molecular weight of 248.15 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,3-dichlorophenyl)pentan-2-ol is sourced from PubChem (CID 81422224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).