3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline

C11H9BrClNS — CID 102765150

IUPAC3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline
SMILESCc1cc(-c2ccc(N)cc2Br)sc1Cl
InChIInChI=1S/C11H9BrClNS/c1-6-4-10(15-11(6)13)8-3-2-7(14)5-9(8)12/h2-5H,14H2,1H3
InChIKeyOSRPMVDGSYHGLT-UHFFFAOYSA-N
MW302.62 g/mol
LogP4.72
Rot. Bonds1

About 3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline

3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline (PubChem CID 102765150) has the molecular formula C11H9BrClNS and a molecular weight of 302.62 g/mol. Its IUPAC name is 3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline.

Molecular Properties

Compound Name3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline
PubChem CID102765150
Molecular FormulaC11H9BrClNS
Molecular Weight302.62 g/mol
Exact Mass300.93
IUPAC Name3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline
SMILESCc1cc(-c2ccc(N)cc2Br)sc1Cl
InChIInChI=1S/C11H9BrClNS/c1-6-4-10(15-11(6)13)8-3-2-7(14)5-9(8)12/h2-5H,14H2,1H3
InChIKeyOSRPMVDGSYHGLT-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.62
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline
CID 102765157
2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline
CID 102765129
3-(5-bromo-4-methylthiophen-2-yl)-4-methylaniline
CID 79995629
5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine
CID 102765138
4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline
CID 102765141
4-(3-bromo-5-methylthiophen-2-yl)benzene-1,3-diamine
CID 65283505
4-(2-bromophenyl)-3-methylaniline
CID 115503554
(5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102765197
8-(5-chloro-4-methylthiophen-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 102765132
(5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone
CID 102765208
4-(4-bromothiophen-2-yl)-3-chloroaniline
CID 154666152
5-(5-chloro-4-methylthiophen-2-yl)-1,2,4-triazole-3-thione
CID 18708781

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline?
The IUPAC name of 3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline (CID 102765150) is 3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline.
What is the SMILES notation for 3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline?
The canonical SMILES for 3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline is Cc1cc(-c2ccc(N)cc2Br)sc1Cl.
What is the InChIKey of 3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline?
The InChIKey is OSRPMVDGSYHGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNS/c1-6-4-10(15-11(6)13)8-3-2-7(14)5-9(8)12/h2-5H,14H2,1H3.
What are the key properties of 3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline?
3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline has a molecular weight of 302.62 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline is sourced from PubChem (CID 102765150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).