4-amino-1-(2,6-dichlorophenyl)pentan-3-ol

C11H15Cl2NO — CID 83924979

IUPAC4-amino-1-(2,6-dichlorophenyl)pentan-3-ol
SMILESCC(N)C(O)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-7(14)11(15)6-5-8-9(12)3-2-4-10(8)13/h2-4,7,11,15H,5-6,14H2,1H3
InChIKeyNUVMPDJDLSDEFZ-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.63
Rot. Bonds4

About 4-amino-1-(2,6-dichlorophenyl)pentan-3-ol

4-amino-1-(2,6-dichlorophenyl)pentan-3-ol (PubChem CID 83924979) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 4-amino-1-(2,6-dichlorophenyl)pentan-3-ol.

Molecular Properties

Compound Name4-amino-1-(2,6-dichlorophenyl)pentan-3-ol
PubChem CID83924979
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name4-amino-1-(2,6-dichlorophenyl)pentan-3-ol
SMILESCC(N)C(O)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-7(14)11(15)6-5-8-9(12)3-2-4-10(8)13/h2-4,7,11,15H,5-6,14H2,1H3
InChIKeyNUVMPDJDLSDEFZ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(2,6-dichlorophenyl)heptan-3-ol
CID 83924985
4-amino-1-(2-chlorophenyl)pentan-3-ol
CID 83924263
1-(2,6-dichlorophenyl)hexan-3-amine
CID 43175876
2-(4-bromopentyl)-1,3-dichlorobenzene
CID 64509594
4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol
CID 83934932
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)ethyl]propanamide
CID 119302301
1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine
CID 61495975
1-(3-chloro-2-ethylphenyl)ethanamine
CID 55282623
1-(2,6-dichlorophenyl)-4-methylpentan-3-one
CID 43175854
2-(3-bromohexyl)-1,3-dichlorobenzene
CID 63471801
N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine
CID 64664799
(2S)-4-[(2,6-dichlorophenyl)methylamino]butan-2-ol
CID 96500104

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,6-dichlorophenyl)pentan-3-ol?
The IUPAC name of 4-amino-1-(2,6-dichlorophenyl)pentan-3-ol (CID 83924979) is 4-amino-1-(2,6-dichlorophenyl)pentan-3-ol.
What is the SMILES notation for 4-amino-1-(2,6-dichlorophenyl)pentan-3-ol?
The canonical SMILES for 4-amino-1-(2,6-dichlorophenyl)pentan-3-ol is CC(N)C(O)CCc1c(Cl)cccc1Cl.
What is the InChIKey of 4-amino-1-(2,6-dichlorophenyl)pentan-3-ol?
The InChIKey is NUVMPDJDLSDEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-7(14)11(15)6-5-8-9(12)3-2-4-10(8)13/h2-4,7,11,15H,5-6,14H2,1H3.
What are the key properties of 4-amino-1-(2,6-dichlorophenyl)pentan-3-ol?
4-amino-1-(2,6-dichlorophenyl)pentan-3-ol has a molecular weight of 248.15 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,6-dichlorophenyl)pentan-3-ol is sourced from PubChem (CID 83924979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).