1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine

C16H17BrFNO2 — CID 43485047

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C16H17BrFNO2/c1-19-16(10-5-4-6-11(18)7-10)12-8-14(20-2)15(21-3)9-13(12)17/h4-9,16,19H,1-3H3
InChIKeyKZGVDTNPWVDOGZ-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.91
Rot. Bonds5

About 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine

1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine (PubChem CID 43485047) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
PubChem CID43485047
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C16H17BrFNO2/c1-19-16(10-5-4-6-11(18)7-10)12-8-14(20-2)15(21-3)9-13(12)17/h4-9,16,19H,1-3H3
InChIKeyKZGVDTNPWVDOGZ-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43485031
1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43479966
1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene
CID 63440568
1-(3-fluorophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065221
1-(2-bromo-4,5-dimethoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43485032
1-(2-bromo-4-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 105052115
(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine
CID 105056618
1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989689
1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115793404
1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 82807700
1-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480979
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine (CID 43485047) is 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine is CNC(c1cccc(F)c1)c1cc(OC)c(OC)cc1Br.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The InChIKey is KZGVDTNPWVDOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-19-16(10-5-4-6-11(18)7-10)12-8-14(20-2)15(21-3)9-13(12)17/h4-9,16,19H,1-3H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine has a molecular weight of 354.22 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43485047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).