1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine

C16H17BrFNO — CID 105022189

IUPAC1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C16H17BrFNO/c1-3-20-13-6-4-5-11(9-13)16(19-2)12-7-8-14(17)15(18)10-12/h4-10,16,19H,3H2,1-2H3
InChIKeyVXITYTAJGNXSDC-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.30
Rot. Bonds5

About 1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine

1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine (PubChem CID 105022189) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
PubChem CID105022189
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C16H17BrFNO/c1-3-20-13-6-4-5-11(9-13)16(19-2)12-7-8-14(17)15(18)10-12/h4-10,16,19H,3H2,1-2H3
InChIKeyVXITYTAJGNXSDC-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026336
(4-bromo-3-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105022404
1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022348
1-(3-bromo-4-ethoxyphenyl)-1-(4-bromo-3-fluorophenyl)-N-methylmethanamine
CID 104657518
1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 60864424
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 106762224
1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022211
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656
1-(2-bromo-4-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022239
1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62790676
1-(4-bromo-3-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851527
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 79723526

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine (CID 105022189) is 1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine is CCOc1cccc(C(NC)c2ccc(Br)c(F)c2)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is VXITYTAJGNXSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-3-20-13-6-4-5-11(9-13)16(19-2)12-7-8-14(17)15(18)10-12/h4-10,16,19H,3H2,1-2H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105022189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).