1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine

C10H12Br2FNO — CID 107741869

IUPAC1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)c(OCCF)c(Br)c1
InChIInChI=1S/C10H12Br2FNO/c1-14-6-7-4-8(11)10(9(12)5-7)15-3-2-13/h4-5,14H,2-3,6H2,1H3
InChIKeyDNUNDWRMQPMISU-UHFFFAOYSA-N
MW341.02 g/mol
LogP3.28
Rot. Bonds5

About 1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine

1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine (PubChem CID 107741869) has the molecular formula C10H12Br2FNO and a molecular weight of 341.02 g/mol. Its IUPAC name is 1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
PubChem CID107741869
Molecular FormulaC10H12Br2FNO
Molecular Weight341.02 g/mol
Exact Mass338.93
IUPAC Name1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)c(OCCF)c(Br)c1
InChIInChI=1S/C10H12Br2FNO/c1-14-6-7-4-8(11)10(9(12)5-7)15-3-2-13/h4-5,14H,2-3,6H2,1H3
InChIKeyDNUNDWRMQPMISU-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.02
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 107741699
1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 80698852
1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 107741642
1-[3,5-dibromo-4-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741740
1-[3,5-dibromo-4-(2,2,2-trifluoroethoxymethoxy)phenyl]-N-methylmethanamine
CID 107741653
6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702470
1-[3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741707
1-[3,5-dibromo-4-[(2-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741910
1-[3,5-dibromo-4-[(2,5-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741643
1-[3-bromo-5-methoxy-4-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 43622288
1-[3,5-dibromo-4-[(2,6-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741928
4-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63891811

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine (CID 107741869) is 1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine is CNCc1cc(Br)c(OCCF)c(Br)c1.
What is the InChIKey of 1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine?
The InChIKey is DNUNDWRMQPMISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2FNO/c1-14-6-7-4-8(11)10(9(12)5-7)15-3-2-13/h4-5,14H,2-3,6H2,1H3.
What are the key properties of 1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine?
1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine has a molecular weight of 341.02 g/mol, XLogP of 3.28, 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-(2-fluoroethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107741869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).