3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline

C10H11BrF3NO — CID 82867863

IUPAC3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline
SMILESCOc1cc(Br)cc(NCCC(F)(F)F)c1
InChIInChI=1S/C10H11BrF3NO/c1-16-9-5-7(11)4-8(6-9)15-3-2-10(12,13)14/h4-6,15H,2-3H2,1H3
InChIKeyUNBJJBNVKVJILH-UHFFFAOYSA-N
MW298.10 g/mol
LogP3.82
Rot. Bonds4

About 3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline

3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline (PubChem CID 82867863) has the molecular formula C10H11BrF3NO and a molecular weight of 298.10 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline
PubChem CID82867863
Molecular FormulaC10H11BrF3NO
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline
SMILESCOc1cc(Br)cc(NCCC(F)(F)F)c1
InChIInChI=1S/C10H11BrF3NO/c1-16-9-5-7(11)4-8(6-9)15-3-2-10(12,13)14/h4-6,15H,2-3H2,1H3
InChIKeyUNBJJBNVKVJILH-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]aniline
CID 116615714
4-(3-bromo-5-methoxyanilino)butan-1-ol
CID 82868117
6-(3-bromo-5-methoxyanilino)hexan-1-ol
CID 113343359
5-(3-bromo-5-methoxyanilino)pentan-1-ol
CID 82868448
3-bromo-5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 82861158
methyl 2-(3-bromo-5-methoxyanilino)acetate
CID 82867874
1-(3-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115870397
3-bromo-N-[(4-iodophenyl)methyl]-5-methoxyaniline
CID 82868129
5-methoxy-3-N-(5,5,5-trifluoropentyl)benzene-1,3-diamine
CID 113326788
3-bromo-5-methyl-N-(4,4,4-trifluorobutyl)aniline
CID 107583136
3-bromo-5-methoxy-N-(2-thiophen-2-ylethyl)aniline
CID 82868460
5-(3-bromo-5-methoxyanilino)-N'-hydroxypentanimidamide
CID 82867428

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline?
The IUPAC name of 3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline (CID 82867863) is 3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline.
What is the SMILES notation for 3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline?
The canonical SMILES for 3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline is COc1cc(Br)cc(NCCC(F)(F)F)c1.
What is the InChIKey of 3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline?
The InChIKey is UNBJJBNVKVJILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO/c1-16-9-5-7(11)4-8(6-9)15-3-2-10(12,13)14/h4-6,15H,2-3H2,1H3.
What are the key properties of 3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline?
3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline has a molecular weight of 298.10 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline is sourced from PubChem (CID 82867863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).