N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine

C17H19Br2NO — CID 64721768

IUPACN-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine
SMILESCC(C)NCC(Oc1ccc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C17H19Br2NO/c1-12(2)20-11-17(13-6-4-3-5-7-13)21-16-9-8-14(18)10-15(16)19/h3-10,12,17,20H,11H2,1-2H3
InChIKeyWLPRKLJMZJJTPR-UHFFFAOYSA-N
MW413.15 g/mol
LogP5.33
Rot. Bonds6

About N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine

N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine (PubChem CID 64721768) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine
PubChem CID64721768
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC NameN-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine
SMILESCC(C)NCC(Oc1ccc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C17H19Br2NO/c1-12(2)20-11-17(13-6-4-3-5-7-13)21-16-9-8-14(18)10-15(16)19/h3-10,12,17,20H,11H2,1-2H3
InChIKeyWLPRKLJMZJJTPR-UHFFFAOYSA-N
XLogP5.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.15
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 63495954
2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine
CID 63498240
N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 62452895
N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 63497564
N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine
CID 62597711
N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine
CID 63516536
N-[2-(4-chloro-3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 63490256
N-[2-phenyl-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108300
2-(2,4-dibromophenoxy)-2-(2-methylphenyl)ethanamine
CID 64721518
N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine
CID 62107338
4-bromo-2-ethenyl-1-(1-phenylbut-3-enoxy)benzene
CID 166977639
N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine
CID 63475506

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine?
The IUPAC name of N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine (CID 64721768) is N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine?
The canonical SMILES for N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine is CC(C)NCC(Oc1ccc(Br)cc1Br)c1ccccc1.
What is the InChIKey of N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine?
The InChIKey is WLPRKLJMZJJTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-12(2)20-11-17(13-6-4-3-5-7-13)21-16-9-8-14(18)10-15(16)19/h3-10,12,17,20H,11H2,1-2H3.
What are the key properties of N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine?
N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine has a molecular weight of 413.15 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine is sourced from PubChem (CID 64721768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).