[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine

C14H13BrFNS — CID 43363459

IUPAC[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine
SMILESNC(c1ccc(-c2ccc(Br)cc2F)s1)C1CC1
InChIInChI=1S/C14H13BrFNS/c15-9-3-4-10(11(16)7-9)12-5-6-13(18-12)14(17)8-1-2-8/h3-8,14H,1-2,17H2
InChIKeyMGLKBWGOJIVAOM-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.73
Rot. Bonds3

About [5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine

[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine (PubChem CID 43363459) has the molecular formula C14H13BrFNS and a molecular weight of 326.23 g/mol. Its IUPAC name is [5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine.

Molecular Properties

Compound Name[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine
PubChem CID43363459
Molecular FormulaC14H13BrFNS
Molecular Weight326.23 g/mol
Exact Mass324.99
IUPAC Name[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine
SMILESNC(c1ccc(-c2ccc(Br)cc2F)s1)C1CC1
InChIInChI=1S/C14H13BrFNS/c15-9-3-4-10(11(16)7-9)12-5-6-13(18-12)14(17)8-1-2-8/h3-8,14H,1-2,17H2
InChIKeyMGLKBWGOJIVAOM-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 43806601
[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 81289491
[5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 43154410
[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 81275428
1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 43363461
cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine
CID 55119222
cyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
CID 63037880
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 54955892
1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154378
cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
CID 66475661
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine?
The IUPAC name of [5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine (CID 43363459) is [5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine.
What is the SMILES notation for [5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine?
The canonical SMILES for [5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine is NC(c1ccc(-c2ccc(Br)cc2F)s1)C1CC1.
What is the InChIKey of [5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine?
The InChIKey is MGLKBWGOJIVAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNS/c15-9-3-4-10(11(16)7-9)12-5-6-13(18-12)14(17)8-1-2-8/h3-8,14H,1-2,17H2.
What are the key properties of [5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine?
[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine has a molecular weight of 326.23 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine is sourced from PubChem (CID 43363459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).