1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine

C11H12Br2F3NO — CID 107741699

IUPAC1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)c(OCCC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H12Br2F3NO/c1-17-6-7-4-8(12)10(9(13)5-7)18-3-2-11(14,15)16/h4-5,17H,2-3,6H2,1H3
InChIKeySFIFHVYQOHUHDY-UHFFFAOYSA-N
MW391.03 g/mol
LogP4.26
Rot. Bonds5

About 1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine

1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine (PubChem CID 107741699) has the molecular formula C11H12Br2F3NO and a molecular weight of 391.03 g/mol. Its IUPAC name is 1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
PubChem CID107741699
Molecular FormulaC11H12Br2F3NO
Molecular Weight391.03 g/mol
Exact Mass388.92
IUPAC Name1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)c(OCCC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H12Br2F3NO/c1-17-6-7-4-8(12)10(9(13)5-7)18-3-2-11(14,15)16/h4-5,17H,2-3,6H2,1H3
InChIKeySFIFHVYQOHUHDY-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.03
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 107741869
1-[3,5-dibromo-4-(2,2,2-trifluoroethoxymethoxy)phenyl]-N-methylmethanamine
CID 107741653
1-[3,5-difluoro-4-(4,4,4-trifluorobutoxy)phenyl]-N-methylmethanamine
CID 115513282
1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 107741642
1-[5-chloro-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]-N-methylmethanamine
CID 82956986
1-[3,5-dibromo-4-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741740
1-[3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741707
N-[[3-bromo-4-(3,3,3-trifluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 64552489
1-[3,5-dibromo-4-[(2-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741910
1-[3-bromo-5-methoxy-4-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 43622288
1-[3,5-dibromo-4-[(2,5-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741643
1,3-dibromo-5-(chloromethyl)-2-(3,3-dimethylbutoxy)benzene
CID 107745345

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine (CID 107741699) is 1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine is CNCc1cc(Br)c(OCCC(F)(F)F)c(Br)c1.
What is the InChIKey of 1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine?
The InChIKey is SFIFHVYQOHUHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2F3NO/c1-17-6-7-4-8(12)10(9(13)5-7)18-3-2-11(14,15)16/h4-5,17H,2-3,6H2,1H3.
What are the key properties of 1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine?
1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine has a molecular weight of 391.03 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107741699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).