(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine

C13H13BrClNS — CID 107096553

IUPAC(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine
SMILESCc1cc(Br)c(C(N)c2cccc(Cl)c2C)s1
InChIInChI=1S/C13H13BrClNS/c1-7-6-10(14)13(17-7)12(16)9-4-3-5-11(15)8(9)2/h3-6,12H,16H2,1-2H3
InChIKeyYEZYRSVOKADZAF-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.83
Rot. Bonds2

About (3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine

(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine (PubChem CID 107096553) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine
PubChem CID107096553
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine
SMILESCc1cc(Br)c(C(N)c2cccc(Cl)c2C)s1
InChIInChI=1S/C13H13BrClNS/c1-7-6-10(14)13(17-7)12(16)9-4-3-5-11(15)8(9)2/h3-6,12H,16H2,1-2H3
InChIKeyYEZYRSVOKADZAF-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.68
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107096356
(3-bromo-5-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884050
3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene
CID 65278669
3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene
CID 65279022
(3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 65279660
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine
CID 107096610
2-[bromo-(3-chloro-2-methylphenyl)methyl]-3,5-dimethylthiophene
CID 107099335
3-bromo-2-[chloro-(3-chloro-2-fluorophenyl)methyl]-5-methylthiophene
CID 81262291
1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 65279769
(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine
CID 65279390
(3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096574
(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 65279068

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine (CID 107096553) is (3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine is Cc1cc(Br)c(C(N)c2cccc(Cl)c2C)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine?
The InChIKey is YEZYRSVOKADZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-7-6-10(14)13(17-7)12(16)9-4-3-5-11(15)8(9)2/h3-6,12H,16H2,1-2H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine?
(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine has a molecular weight of 330.68 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine is sourced from PubChem (CID 107096553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).