N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine

C19H23BrFN — CID 18509517

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine
SMILESCN(Cc1ccc(C(C)(C)C)cc1)Cc1cc(Br)ccc1F
InChIInChI=1S/C19H23BrFN/c1-19(2,3)16-7-5-14(6-8-16)12-22(4)13-15-11-17(20)9-10-18(15)21/h5-11H,12-13H2,1-4H3
InChIKeyCLGWPAWYBHLDPS-UHFFFAOYSA-N
MW364.30 g/mol
LogP5.52
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine

N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine (PubChem CID 18509517) has the molecular formula C19H23BrFN and a molecular weight of 364.30 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine
PubChem CID18509517
Molecular FormulaC19H23BrFN
Molecular Weight364.30 g/mol
Exact Mass363.10
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine
SMILESCN(Cc1ccc(C(C)(C)C)cc1)Cc1cc(Br)ccc1F
InChIInChI=1S/C19H23BrFN/c1-19(2,3)16-7-5-14(6-8-16)12-22(4)13-15-11-17(20)9-10-18(15)21/h5-11H,12-13H2,1-4H3
InChIKeyCLGWPAWYBHLDPS-UHFFFAOYSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.30
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834406
2'-Bromo-N-[[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]-N,N-dimethyl-[1,1'-biphenyl]-4-methanaminium iodide
CID 71459294
[4-(3-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethylazanium iodide
CID 71462809
1-(3-Bromo-4-fluorobenzyl)-4-methylpiperazine
CID 765192
[4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethyl-azanium
CID 71459295
Cambridge id 5259116
CID 791409
Cambridge id 5458751
CID 784276
(3-Bromo-4-fluorobenzyl)bis[3-(dimethylamino)propyl]amine
CID 2058146
N-[(3-bromophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43123271
N-benzyl-2-(4-tert-butylphenyl)-3-fluoro-N-methylprop-2-en-1-amine
CID 135031941
4-bromo-N-methyl-N-[2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]butan-1-amine
CID 164666556
N-benzyl-1-(4-bromophenyl)-2-fluoro-N-methylethanamine
CID 177853340

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine (CID 18509517) is N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine is CN(Cc1ccc(C(C)(C)C)cc1)Cc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine?
The InChIKey is CLGWPAWYBHLDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrFN/c1-19(2,3)16-7-5-14(6-8-16)12-22(4)13-15-11-17(20)9-10-18(15)21/h5-11H,12-13H2,1-4H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine?
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine has a molecular weight of 364.30 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine is sourced from PubChem (CID 18509517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).