1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine

C10H11BrF3NO — CID 83988951

IUPAC1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCCC(N)c1cc(OC(F)(F)F)ccc1Br
InChIInChI=1S/C10H11BrF3NO/c1-2-9(15)7-5-6(3-4-8(7)11)16-10(12,13)14/h3-5,9H,2,15H2,1H3
InChIKeyBSTRHZMMXIZZGX-UHFFFAOYSA-N
MW298.10 g/mol
LogP3.76
Rot. Bonds3

About 1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine

1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 83988951) has the molecular formula C10H11BrF3NO and a molecular weight of 298.10 g/mol. Its IUPAC name is 1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID83988951
Molecular FormulaC10H11BrF3NO
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCCC(N)c1cc(OC(F)(F)F)ccc1Br
InChIInChI=1S/C10H11BrF3NO/c1-2-9(15)7-5-6(3-4-8(7)11)16-10(12,13)14/h3-5,9H,2,15H2,1H3
InChIKeyBSTRHZMMXIZZGX-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminopropyl)-4-(trifluoromethoxy)aniline
CID 112541231
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine
CID 139965810
1-(2-bromo-5-methoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 105156340
(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-amine
CID 171235861
(S)-(2-bromo-5-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171241289
(1S)-1-(2-bromo-5-iodophenyl)propan-1-amine
CID 130713970
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
3-[(1S)-1-aminopropyl]-4-bromobenzoic acid
CID 130730196
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 171216217
2-(1-amino-3-methylbutyl)-4-(trifluoromethoxy)aniline
CID 83988086
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 171216239

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of 1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine (CID 83988951) is 1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine is CCC(N)c1cc(OC(F)(F)F)ccc1Br.
What is the InChIKey of 1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is BSTRHZMMXIZZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO/c1-2-9(15)7-5-6(3-4-8(7)11)16-10(12,13)14/h3-5,9H,2,15H2,1H3.
What are the key properties of 1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine?
1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 298.10 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 83988951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).