1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine

C12H10BrClFNS — CID 43485486

IUPAC1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)s1)c1ccc(F)cc1Br
InChIInChI=1S/C12H10BrClFNS/c1-16-12(10-4-5-11(14)17-10)8-3-2-7(15)6-9(8)13/h2-6,12,16H,1H3
InChIKeyJFAYRPBTYQZZGN-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.61
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine

1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine (PubChem CID 43485486) has the molecular formula C12H10BrClFNS and a molecular weight of 334.64 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
PubChem CID43485486
Molecular FormulaC12H10BrClFNS
Molecular Weight334.64 g/mol
Exact Mass332.94
IUPAC Name1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)s1)c1ccc(F)cc1Br
InChIInChI=1S/C12H10BrClFNS/c1-16-12(10-4-5-11(14)17-10)8-3-2-7(15)6-9(8)13/h2-6,12,16H,1H3
InChIKeyJFAYRPBTYQZZGN-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(2-bromo-4-chlorophenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine
CID 145985278
((5-(4-Chlorophenyl)thiophen-2-yl)methyl)(methyl)amine
CID 21936182
(5-Bromothiophen-2-ylmethyl)-[2-(3-fluorophenyl)-ethyl]-amine
CID 43400730
(4R)-4-(2-bromo-3-fluorophenyl)-5-[(R)-tert-butylsulfinyl]-2-chloro-4,6-dihydrothieno[2,3-c]pyrrole
CID 168987817
[(4R)-4-(2-bromo-3-fluorophenyl)-2-chloro-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]-tert-butyl-oxidosulfanium
CID 174051587
[4-(2-Bromo-3-fluorophenyl)-2-chloro-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]-tert-butyl-oxidosulfanium
CID 174053714
(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethanamine
CID 28396110
(S)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethanamine
CID 28396113
(R)-(2-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine
CID 28396184
(S)-(2-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine
CID 28396186
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)ethanamine
CID 28441475
N-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 28449876

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine (CID 43485486) is 1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine is CNC(c1ccc(Cl)s1)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
The InChIKey is JFAYRPBTYQZZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNS/c1-16-12(10-4-5-11(14)17-10)8-3-2-7(15)6-9(8)13/h2-6,12,16H,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine has a molecular weight of 334.64 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 43485486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).