1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine

C16H19BrFNS — CID 141396853

IUPAC1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine
SMILESCC(C)(C)c1cc(CNCc2ccc(Br)cc2F)cs1
InChIInChI=1S/C16H19BrFNS/c1-16(2,3)15-6-11(10-20-15)8-19-9-12-4-5-13(17)7-14(12)18/h4-7,10,19H,8-9H2,1-3H3
InChIKeyZHGOJNCVBATWQR-UHFFFAOYSA-N
MW356.30 g/mol
LogP5.24
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine

1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine (PubChem CID 141396853) has the molecular formula C16H19BrFNS and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine
PubChem CID141396853
Molecular FormulaC16H19BrFNS
Molecular Weight356.30 g/mol
Exact Mass355.04
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine
SMILESCC(C)(C)c1cc(CNCc2ccc(Br)cc2F)cs1
InChIInChI=1S/C16H19BrFNS/c1-16(2,3)15-6-11(10-20-15)8-19-9-12-4-5-13(17)7-14(12)18/h4-7,10,19H,8-9H2,1-3H3
InChIKeyZHGOJNCVBATWQR-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.30
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine (CID 141396853) is 1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine is CC(C)(C)c1cc(CNCc2ccc(Br)cc2F)cs1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine?
The InChIKey is ZHGOJNCVBATWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNS/c1-16(2,3)15-6-11(10-20-15)8-19-9-12-4-5-13(17)7-14(12)18/h4-7,10,19H,8-9H2,1-3H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine?
1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine has a molecular weight of 356.30 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-[(5-tert-butylthiophen-3-yl)methyl]methanamine is sourced from PubChem (CID 141396853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).