6-(2,4-dichlorophenoxy)hexan-1-amine

C12H17Cl2NO — CID 21467390

IUPAC6-(2,4-dichlorophenoxy)hexan-1-amine
SMILESNCCCCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c13-10-5-6-12(11(14)9-10)16-8-4-2-1-3-7-15/h5-6,9H,1-4,7-8,15H2
InChIKeyQSUTXUJYEJPFNT-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.89
Rot. Bonds7

About 6-(2,4-dichlorophenoxy)hexan-1-amine

6-(2,4-dichlorophenoxy)hexan-1-amine (PubChem CID 21467390) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 6-(2,4-dichlorophenoxy)hexan-1-amine.

Molecular Properties

Compound Name6-(2,4-dichlorophenoxy)hexan-1-amine
PubChem CID21467390
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name6-(2,4-dichlorophenoxy)hexan-1-amine
SMILESNCCCCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c13-10-5-6-12(11(14)9-10)16-8-4-2-1-3-7-15/h5-6,9H,1-4,7-8,15H2
InChIKeyQSUTXUJYEJPFNT-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
2,4-dichloro-1-oct-7-ynoxybenzene
CID 126538407
2-(5-aminopentoxy)-4,5-dichlorophenol
CID 101415763
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium
CID 2247783
6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium
CID 2247482
tris[2-(2,4-dichlorophenoxy)ethyl]azanium
CID 2317161
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine
CID 107656497
[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 20992565
N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62688620
1-[6-(2,4-dichlorophenoxy)hexyl]piperidin-1-ium
CID 2247168

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenoxy)hexan-1-amine?
The IUPAC name of 6-(2,4-dichlorophenoxy)hexan-1-amine (CID 21467390) is 6-(2,4-dichlorophenoxy)hexan-1-amine.
What is the SMILES notation for 6-(2,4-dichlorophenoxy)hexan-1-amine?
The canonical SMILES for 6-(2,4-dichlorophenoxy)hexan-1-amine is NCCCCCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 6-(2,4-dichlorophenoxy)hexan-1-amine?
The InChIKey is QSUTXUJYEJPFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c13-10-5-6-12(11(14)9-10)16-8-4-2-1-3-7-15/h5-6,9H,1-4,7-8,15H2.
What are the key properties of 6-(2,4-dichlorophenoxy)hexan-1-amine?
6-(2,4-dichlorophenoxy)hexan-1-amine has a molecular weight of 262.18 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenoxy)hexan-1-amine is sourced from PubChem (CID 21467390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).