(2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine

C12H11Br2NS — CID 43345006

IUPAC(2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2cc(Br)sc2Br)c1
InChIInChI=1S/C12H11Br2NS/c1-7-3-2-4-8(5-7)11(15)9-6-10(13)16-12(9)14/h2-6,11H,15H2,1H3
InChIKeyLTBWCVGKHRZPLS-UHFFFAOYSA-N
MW361.10 g/mol
LogP4.63
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine

(2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine (PubChem CID 43345006) has the molecular formula C12H11Br2NS and a molecular weight of 361.10 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine
PubChem CID43345006
Molecular FormulaC12H11Br2NS
Molecular Weight361.10 g/mol
Exact Mass358.90
IUPAC Name(2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2cc(Br)sc2Br)c1
InChIInChI=1S/C12H11Br2NS/c1-7-3-2-4-8(5-7)11(15)9-6-10(13)16-12(9)14/h2-6,11H,15H2,1H3
InChIKeyLTBWCVGKHRZPLS-UHFFFAOYSA-N
XLogP4.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.10
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107969258
(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine
CID 61102439
(3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 114023500
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107961099
(2,5-dibromothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 107968244
(2-methylphenyl)-(3-methylphenyl)methanamine
CID 43828955
(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107096356
2-[amino-(3-methylphenyl)methyl]aniline
CID 118675282
(2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine
CID 107960519
(2,5-dibromothiophen-3-yl)-(3-methylthiophen-2-yl)methanamine
CID 43464814
(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171229492
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine (CID 43345006) is (2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine is Cc1cccc(C(N)c2cc(Br)sc2Br)c1.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine?
The InChIKey is LTBWCVGKHRZPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NS/c1-7-3-2-4-8(5-7)11(15)9-6-10(13)16-12(9)14/h2-6,11H,15H2,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine?
(2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine has a molecular weight of 361.10 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine is sourced from PubChem (CID 43345006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).