(5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine

C13H13BrClNS — CID 114027953

IUPAC(5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine
SMILESCc1cc(Cl)ccc1C(N)c1cc(Br)sc1C
InChIInChI=1S/C13H13BrClNS/c1-7-5-9(15)3-4-10(7)13(16)11-6-12(14)17-8(11)2/h3-6,13H,16H2,1-2H3
InChIKeyCWKOGDZDEJKCIB-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.83
Rot. Bonds2

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

(5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine (PubChem CID 114027953) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is (5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine
PubChem CID114027953
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name(5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine
SMILESCc1cc(Cl)ccc1C(N)c1cc(Br)sc1C
InChIInChI=1S/C13H13BrClNS/c1-7-5-9(15)3-4-10(7)13(16)11-6-12(14)17-8(11)2/h3-6,13H,16H2,1-2H3
InChIKeyCWKOGDZDEJKCIB-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

(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107961099
1-(2-bromo-4-chlorophenyl)-1-(5-bromo-2-methylthiophen-3-yl)-N-methylmethanamine
CID 114024441
(3-bromo-2-fluorophenyl)-(4-chloro-2-methylphenyl)methanamine
CID 114028370
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
(2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine
CID 43345039
1-(4-chloro-2-methylphenyl)ethanamine;ethane
CID 143031606
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884129
(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine
CID 124706908
(5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 65307651
(2-bromo-4-chlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 107995034
(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171211834
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine?
The IUPAC name of (5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine (CID 114027953) is (5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine?
The canonical SMILES for (5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine is Cc1cc(Cl)ccc1C(N)c1cc(Br)sc1C.
What is the InChIKey of (5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine?
The InChIKey is CWKOGDZDEJKCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-7-5-9(15)3-4-10(7)13(16)11-6-12(14)17-8(11)2/h3-6,13H,16H2,1-2H3.
What are the key properties of (5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine?
(5-bromo-2-methylthiophen-3-yl)-(4-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 (5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine is sourced from PubChem (CID 114027953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).