1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine

C15H15Br2NO — CID 64713841

IUPAC1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(Oc2ccc(Br)cc2Br)c1
InChIInChI=1S/C15H15Br2NO/c1-10(18)7-11-3-2-4-13(8-11)19-15-6-5-12(16)9-14(15)17/h2-6,8-10H,7,18H2,1H3
InChIKeyGDHIHBIPVFOPRV-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.89
Rot. Bonds4

About 1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine

1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine (PubChem CID 64713841) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine
PubChem CID64713841
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(Oc2ccc(Br)cc2Br)c1
InChIInChI=1S/C15H15Br2NO/c1-10(18)7-11-3-2-4-13(8-11)19-15-6-5-12(16)9-14(15)17/h2-6,8-10H,7,18H2,1H3
InChIKeyGDHIHBIPVFOPRV-UHFFFAOYSA-N
XLogP4.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639988
1-[3-(4-bromo-2-chlorophenoxy)phenyl]butan-2-amine
CID 63942550
1-[3-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63943521
1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine
CID 83234688
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
1-[4-(3-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63815930
4-[3-(2-aminopropyl)phenoxy]aniline
CID 116996628
1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine
CID 63941754
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
1-[3-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63943526
1-(3-pyridin-3-yloxyphenyl)propan-2-amine
CID 63941950
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine (CID 64713841) is 1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine is CC(N)Cc1cccc(Oc2ccc(Br)cc2Br)c1.
What is the InChIKey of 1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine?
The InChIKey is GDHIHBIPVFOPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-10(18)7-11-3-2-4-13(8-11)19-15-6-5-12(16)9-14(15)17/h2-6,8-10H,7,18H2,1H3.
What are the key properties of 1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine?
1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine has a molecular weight of 385.10 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 64713841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).