5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine

C14H20BrCl2NO — CID 107661011

IUPAC5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCOc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C14H20BrCl2NO/c1-10(2)18-6-4-3-5-7-19-14-9-12(16)11(15)8-13(14)17/h8-10,18H,3-7H2,1-2H3
InChIKeyJSMHYSBWMJKNMO-UHFFFAOYSA-N
MW369.13 g/mol
LogP5.30
Rot. Bonds8

About 5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine

5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine (PubChem CID 107661011) has the molecular formula C14H20BrCl2NO and a molecular weight of 369.13 g/mol. Its IUPAC name is 5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
PubChem CID107661011
Molecular FormulaC14H20BrCl2NO
Molecular Weight369.13 g/mol
Exact Mass367.01
IUPAC Name5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCOc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C14H20BrCl2NO/c1-10(2)18-6-4-3-5-7-19-14-9-12(16)11(15)8-13(14)17/h8-10,18H,3-7H2,1-2H3
InChIKeyJSMHYSBWMJKNMO-UHFFFAOYSA-N
XLogP5.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.13
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene
CID 107657601
5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine
CID 107656497
5-(4-bromo-2-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine
CID 115402776
3-(4-bromo-2,5-dichlorophenoxy)propan-1-amine
CID 107656499
N-propan-2-yl-4-(2,4,6-trichlorophenoxy)butan-1-amine
CID 62572065
5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 62485763
4-(3,4-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 2298232
4-(4-bromo-2,5-dichlorophenoxy)butanoic acid
CID 22687414
4-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-propan-2-ylbutan-1-amine
CID 104662999
4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62450741
3-(4-bromo-2,5-dichlorophenoxy)-2-methylpropan-1-amine
CID 107659698
N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine
CID 62597711

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine (CID 107661011) is 5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine is CC(C)NCCCCCOc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine?
The InChIKey is JSMHYSBWMJKNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrCl2NO/c1-10(2)18-6-4-3-5-7-19-14-9-12(16)11(15)8-13(14)17/h8-10,18H,3-7H2,1-2H3.
What are the key properties of 5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine?
5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine has a molecular weight of 369.13 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 107661011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).