3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol

C12H17Cl2NO2 — CID 113359746

IUPAC3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol
SMILESCOCCC(N)CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-17-5-4-9(15)7-12(16)10-3-2-8(13)6-11(10)14/h2-3,6,9,12,16H,4-5,7,15H2,1H3
InChIKeyHLZVMFQORHIZEC-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.78
Rot. Bonds6

About 3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol

3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol (PubChem CID 113359746) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol
PubChem CID113359746
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol
SMILESCOCCC(N)CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-17-5-4-9(15)7-12(16)10-3-2-8(13)6-11(10)14/h2-3,6,9,12,16H,4-5,7,15H2,1H3
InChIKeyHLZVMFQORHIZEC-UHFFFAOYSA-N
XLogP2.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-chlorophenyl)-5-methoxypentan-1-ol
CID 103967403
(1S,3S)-3-amino-1-(2,4-dichlorophenyl)-4,4-dimethylpentan-1-ol
CID 171237148
1-(2,5-dichlorophenyl)-3-methoxypropan-1-amine
CID 62790378
(1R,3R)-3-amino-1-(2,4-dichlorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237914
1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033
3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol
CID 113359747
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol
CID 103967406
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
3-amino-1-(furan-2-yl)-5-methoxypentan-1-ol
CID 103967416
1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 61099046

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol?
The IUPAC name of 3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol (CID 113359746) is 3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol.
What is the SMILES notation for 3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol?
The canonical SMILES for 3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol is COCCC(N)CC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol?
The InChIKey is HLZVMFQORHIZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2/c1-17-5-4-9(15)7-12(16)10-3-2-8(13)6-11(10)14/h2-3,6,9,12,16H,4-5,7,15H2,1H3.
What are the key properties of 3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol?
3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol has a molecular weight of 278.18 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol is sourced from PubChem (CID 113359746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).