5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine

C13H19Cl2NO — CID 65255805

IUPAC5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-13(2,9-16)6-3-7-17-12-8-10(14)4-5-11(12)15/h4-5,8H,3,6-7,9,16H2,1-2H3
InChIKeyRSSFUENYLVJXNX-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.14
Rot. Bonds6

About 5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine

5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine (PubChem CID 65255805) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine
PubChem CID65255805
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-13(2,9-16)6-3-7-17-12-8-10(14)4-5-11(12)15/h4-5,8H,3,6-7,9,16H2,1-2H3
InChIKeyRSSFUENYLVJXNX-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.14
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

5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine
CID 65255914
5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine
CID 65255968
1,4-dichloro-2-(2,2-dimethylpropoxy)benzene
CID 66988103
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556
5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine
CID 54855402
5-(2-bromo-4-fluorophenoxy)-2,2-dimethylpentan-1-amine
CID 65255804
3-[3-(2,5-dichlorophenoxy)propoxy]-2-methylaniline
CID 82097238
4-(2,5-dichlorophenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55077833
4-chloro-1-(4,4-dimethylpentoxy)-2-fluorobenzene
CID 142457826
[3-[2-(2,5-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 22682500
5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine
CID 65256212
2-[2-(2,5-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452114

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine (CID 65255805) is 5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine is CC(C)(CN)CCCOc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine?
The InChIKey is RSSFUENYLVJXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-13(2,9-16)6-3-7-17-12-8-10(14)4-5-11(12)15/h4-5,8H,3,6-7,9,16H2,1-2H3.
What are the key properties of 5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine?
5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine has a molecular weight of 276.21 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65255805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).