3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine

C17H19BrFNO — CID 116772577

IUPAC3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
SMILESCNC(Cc1cccc(F)c1Br)C(OC)c1ccccc1
InChIInChI=1S/C17H19BrFNO/c1-20-15(11-13-9-6-10-14(19)16(13)18)17(21-2)12-7-4-3-5-8-12/h3-10,15,17,20H,11H2,1-2H3
InChIKeyHDWCNMPOFFJWEA-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.11
Rot. Bonds6

About 3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine

3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine (PubChem CID 116772577) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
PubChem CID116772577
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
SMILESCNC(Cc1cccc(F)c1Br)C(OC)c1ccccc1
InChIInChI=1S/C17H19BrFNO/c1-20-15(11-13-9-6-10-14(19)16(13)18)17(21-2)12-7-4-3-5-8-12/h3-10,15,17,20H,11H2,1-2H3
InChIKeyHDWCNMPOFFJWEA-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772583
3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772571
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720241
1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715973
3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol
CID 103459440
1-methoxy-N-methyl-1-phenyl-3-pyridin-2-ylpropan-2-amine
CID 116772512
2-[(2-bromo-3-fluorophenyl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973298
1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol
CID 115826470
3-(furan-3-yl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772578
1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105172022
2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 105020535
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
CID 105020651

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine?
The IUPAC name of 3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine (CID 116772577) is 3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for 3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine?
The canonical SMILES for 3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine is CNC(Cc1cccc(F)c1Br)C(OC)c1ccccc1.
What is the InChIKey of 3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine?
The InChIKey is HDWCNMPOFFJWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-20-15(11-13-9-6-10-14(19)16(13)18)17(21-2)12-7-4-3-5-8-12/h3-10,15,17,20H,11H2,1-2H3.
What are the key properties of 3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine?
3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine has a molecular weight of 352.25 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 116772577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).