(2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine

C15H17BrFNS — CID 114559117

IUPAC(2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine
SMILESCC(C)(C)c1ccc(C(N)c2c(F)cccc2Br)s1
InChIInChI=1S/C15H17BrFNS/c1-15(2,3)12-8-7-11(19-12)14(18)13-9(16)5-4-6-10(13)17/h4-8,14H,18H2,1-3H3
InChIKeyUAWHZSNIBKMYCS-UHFFFAOYSA-N
MW342.28 g/mol
LogP5.00
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine

(2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine (PubChem CID 114559117) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine
PubChem CID114559117
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC Name(2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine
SMILESCC(C)(C)c1ccc(C(N)c2c(F)cccc2Br)s1
InChIInChI=1S/C15H17BrFNS/c1-15(2,3)12-8-7-11(19-12)14(18)13-9(16)5-4-6-10(13)17/h4-8,14H,18H2,1-3H3
InChIKeyUAWHZSNIBKMYCS-UHFFFAOYSA-N
XLogP5.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 114558836
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223227
(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130901944
2-[bromo-(3-bromo-2-fluorophenyl)methyl]-5-tert-butylthiophene
CID 114020891
(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 114558834
2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol
CID 130921663
(2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114886642
1-(2-bromo-6-fluorophenyl)-2,2,2-trifluoroethanamine
CID 77127823
(2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 114886872
(R)-(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanamine
CID 171203659
1-(2-bromo-6-fluorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 114558866

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine?
The IUPAC name of (2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine (CID 114559117) is (2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine is CC(C)(C)c1ccc(C(N)c2c(F)cccc2Br)s1.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine?
The InChIKey is UAWHZSNIBKMYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-15(2,3)12-8-7-11(19-12)14(18)13-9(16)5-4-6-10(13)17/h4-8,14H,18H2,1-3H3.
What are the key properties of (2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine?
(2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine has a molecular weight of 342.28 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine is sourced from PubChem (CID 114559117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).