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

C13H19Cl2NO — CID 83924985

IUPAC4-amino-1-(2,6-dichlorophenyl)heptan-3-ol
SMILESCCCC(N)C(O)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-2-4-12(16)13(17)8-7-9-10(14)5-3-6-11(9)15/h3,5-6,12-13,17H,2,4,7-8,16H2,1H3
InChIKeyQVYUSOCOXGEXMQ-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.41
Rot. Bonds6

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

4-amino-1-(2,6-dichlorophenyl)heptan-3-ol (PubChem CID 83924985) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 4-amino-1-(2,6-dichlorophenyl)heptan-3-ol.

Molecular Properties

Compound Name4-amino-1-(2,6-dichlorophenyl)heptan-3-ol
PubChem CID83924985
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name4-amino-1-(2,6-dichlorophenyl)heptan-3-ol
SMILESCCCC(N)C(O)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-2-4-12(16)13(17)8-7-9-10(14)5-3-6-11(9)15/h3,5-6,12-13,17H,2,4,7-8,16H2,1H3
InChIKeyQVYUSOCOXGEXMQ-UHFFFAOYSA-N
XLogP3.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(2-chlorophenyl)heptan-3-ol
CID 83924269
4-amino-1-(2,6-dichlorophenyl)pentan-3-ol
CID 83924979
1-(2,6-dichlorophenyl)hexan-3-amine
CID 43175876
4-amino-1-(2,4-dichlorophenyl)heptan-3-ol
CID 83928392
2-(3-bromohexyl)-1,3-dichlorobenzene
CID 63471801
5-amino-2-(2-chlorophenyl)octan-4-ol
CID 83924268
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515
(1S)-1-(2,6-dichlorophenyl)butan-1-amine
CID 130714755
(1S)-1-(2,6-dichlorophenyl)butan-1-amine;hydrochloride
CID 171217430
4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol
CID 83943375
4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol
CID 83940153
1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol
CID 116711728

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,6-dichlorophenyl)heptan-3-ol?
The IUPAC name of 4-amino-1-(2,6-dichlorophenyl)heptan-3-ol (CID 83924985) is 4-amino-1-(2,6-dichlorophenyl)heptan-3-ol.
What is the SMILES notation for 4-amino-1-(2,6-dichlorophenyl)heptan-3-ol?
The canonical SMILES for 4-amino-1-(2,6-dichlorophenyl)heptan-3-ol is CCCC(N)C(O)CCc1c(Cl)cccc1Cl.
What is the InChIKey of 4-amino-1-(2,6-dichlorophenyl)heptan-3-ol?
The InChIKey is QVYUSOCOXGEXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-2-4-12(16)13(17)8-7-9-10(14)5-3-6-11(9)15/h3,5-6,12-13,17H,2,4,7-8,16H2,1H3.
What are the key properties of 4-amino-1-(2,6-dichlorophenyl)heptan-3-ol?
4-amino-1-(2,6-dichlorophenyl)heptan-3-ol has a molecular weight of 276.21 g/mol, XLogP of 3.41, 6 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)heptan-3-ol is sourced from PubChem (CID 83924985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).