1-[2-(2-bromophenoxy)phenyl]propan-1-amine

C15H16BrNO — CID 112678376

IUPAC1-[2-(2-bromophenoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Oc1ccccc1Br
InChIInChI=1S/C15H16BrNO/c1-2-13(17)11-7-3-5-9-14(11)18-15-10-6-4-8-12(15)16/h3-10,13H,2,17H2,1H3
InChIKeyCXLUMMSWQGWYQB-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.65
Rot. Bonds4

About 1-[2-(2-bromophenoxy)phenyl]propan-1-amine

1-[2-(2-bromophenoxy)phenyl]propan-1-amine (PubChem CID 112678376) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 1-[2-(2-bromophenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(2-bromophenoxy)phenyl]propan-1-amine
PubChem CID112678376
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name1-[2-(2-bromophenoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Oc1ccccc1Br
InChIInChI=1S/C15H16BrNO/c1-2-13(17)11-7-3-5-9-14(11)18-15-10-6-4-8-12(15)16/h3-10,13H,2,17H2,1H3
InChIKeyCXLUMMSWQGWYQB-UHFFFAOYSA-N
XLogP4.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methylphenoxy)phenyl]propan-1-amine
CID 112678413
(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol
CID 113359072
(1R)-1-[2-(5-bromo-2,3-difluorophenoxy)phenyl]propan-1-amine
CID 107099969
(1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine
CID 103959458
(1R)-1-[2-(2-bromo-6-nitrophenoxy)phenyl]propan-1-amine
CID 103959439
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine
CID 107658799
1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine
CID 115995509
1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine
CID 43284836
(1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine
CID 103959280
(1S)-1-[2-(2-nitrophenoxy)phenyl]propan-1-amine
CID 103739059

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenoxy)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(2-bromophenoxy)phenyl]propan-1-amine (CID 112678376) is 1-[2-(2-bromophenoxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(2-bromophenoxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(2-bromophenoxy)phenyl]propan-1-amine is CCC(N)c1ccccc1Oc1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenoxy)phenyl]propan-1-amine?
The InChIKey is CXLUMMSWQGWYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-2-13(17)11-7-3-5-9-14(11)18-15-10-6-4-8-12(15)16/h3-10,13H,2,17H2,1H3.
What are the key properties of 1-[2-(2-bromophenoxy)phenyl]propan-1-amine?
1-[2-(2-bromophenoxy)phenyl]propan-1-amine has a molecular weight of 306.20 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 112678376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).