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

C12H10BrClFNS — CID 107950955

IUPAC(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2ccc(F)c(Br)c2)sc1Cl
InChIInChI=1S/C12H10BrClFNS/c1-6-4-10(17-12(6)14)11(16)7-2-3-9(15)8(13)5-7/h2-5,11H,16H2,1H3
InChIKeyRMMXGZYQVFAEEA-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.66
Rot. Bonds2

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

(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine (PubChem CID 107950955) has the molecular formula C12H10BrClFNS and a molecular weight of 334.64 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
PubChem CID107950955
Molecular FormulaC12H10BrClFNS
Molecular Weight334.64 g/mol
Exact Mass332.94
IUPAC Name(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2ccc(F)c(Br)c2)sc1Cl
InChIInChI=1S/C12H10BrClFNS/c1-6-4-10(17-12(6)14)11(16)7-2-3-9(15)8(13)5-7/h2-5,11H,16H2,1H3
InChIKeyRMMXGZYQVFAEEA-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine
CID 102763514
(3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 79747667
(5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine
CID 114023515
(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine
CID 102763371
(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 102827103
(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine
CID 79746589
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanamine
CID 79747674
(3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80744859
(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102763534
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 102763420
(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine
CID 102827146
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine (CID 107950955) is (3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine is Cc1cc(C(N)c2ccc(F)c(Br)c2)sc1Cl.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine?
The InChIKey is RMMXGZYQVFAEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNS/c1-6-4-10(17-12(6)14)11(16)7-2-3-9(15)8(13)5-7/h2-5,11H,16H2,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine?
(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine has a molecular weight of 334.64 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 107950955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).