(3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine

C15H15Br2NS — CID 105053621

IUPAC(3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine
SMILESNC(c1cccc(C2CCC2)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H15Br2NS/c16-12-8-13(19-15(12)17)14(18)11-6-2-5-10(7-11)9-3-1-4-9/h2,5-9,14H,1,3-4,18H2
InChIKeyCDXAGALGWJMLPP-UHFFFAOYSA-N
MW401.17 g/mol
LogP5.59
Rot. Bonds3

About (3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine

(3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine (PubChem CID 105053621) has the molecular formula C15H15Br2NS and a molecular weight of 401.17 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine
PubChem CID105053621
Molecular FormulaC15H15Br2NS
Molecular Weight401.17 g/mol
Exact Mass398.93
IUPAC Name(3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine
SMILESNC(c1cccc(C2CCC2)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H15Br2NS/c16-12-8-13(19-15(12)17)14(18)11-6-2-5-10(7-11)9-3-1-4-9/h2,5-9,14H,1,3-4,18H2
InChIKeyCDXAGALGWJMLPP-UHFFFAOYSA-N
XLogP5.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.17
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine
CID 105342056
(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105053790
(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053825
(5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine
CID 105053761
(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 115839009
(3-cyclobutylphenyl)-thiophen-3-ylmethanamine
CID 114602570
(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine
CID 102923950
(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 114603326
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
(3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine
CID 105189528
(3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 114601538
(4,5-dibromothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 115854014

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine?
The IUPAC name of (3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine (CID 105053621) is (3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine.
What is the SMILES notation for (3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine?
The canonical SMILES for (3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine is NC(c1cccc(C2CCC2)c1)c1cc(Br)c(Br)s1.
What is the InChIKey of (3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine?
The InChIKey is CDXAGALGWJMLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NS/c16-12-8-13(19-15(12)17)14(18)11-6-2-5-10(7-11)9-3-1-4-9/h2,5-9,14H,1,3-4,18H2.
What are the key properties of (3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine?
(3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine has a molecular weight of 401.17 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine is sourced from PubChem (CID 105053621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).