N-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine

C12H10BrClFNS — CID 115695957

IUPACN-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine
SMILESFc1c(Cl)cccc1CNCc1sccc1Br
InChIInChI=1S/C12H10BrClFNS/c13-9-4-5-17-11(9)7-16-6-8-2-1-3-10(14)12(8)15/h1-5,16H,6-7H2
InChIKeyNHZOQJFDOGSVKM-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.59
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine

N-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine (PubChem CID 115695957) has the molecular formula C12H10BrClFNS and a molecular weight of 334.64 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine
PubChem CID115695957
Molecular FormulaC12H10BrClFNS
Molecular Weight334.64 g/mol
Exact Mass332.94
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine
SMILESFc1c(Cl)cccc1CNCc1sccc1Br
InChIInChI=1S/C12H10BrClFNS/c13-9-4-5-17-11(9)7-16-6-8-2-1-3-10(14)12(8)15/h1-5,16H,6-7H2
InChIKeyNHZOQJFDOGSVKM-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(3-bromothiophen-2-yl)methylamino]methyl]-2-fluorobenzonitrile
CID 107114690
N-[(3-chloro-2-fluorophenyl)methyl]prop-2-yn-1-amine
CID 115695732
1-(3-chloro-2-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 115656735
4-bromo-N-[(3-chloro-2-fluorophenyl)methyl]butan-1-amine
CID 106844787
N-[(3-bromothiophen-2-yl)methyl]-2-chloro-6-(trifluoromethyl)aniline
CID 63487816
N-[(3-bromothiophen-2-yl)methyl]-1-isoquinolin-4-ylmethanamine
CID 115748401
N-[(3-bromothiophen-2-yl)methyl]-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088311
N-[(3-bromothiophen-2-yl)methyl]-1-(5-chloro-2-methoxyphenyl)methanamine
CID 78943520
N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorocyclohexyl)methanamine
CID 106123711
1-N-[(3-bromothiophen-2-yl)methyl]-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115380101
3-[(3-chloro-2-fluorophenyl)methylamino]propanenitrile
CID 114487253
1-(3-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 115696036

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine (CID 115695957) is N-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine is Fc1c(Cl)cccc1CNCc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine?
The InChIKey is NHZOQJFDOGSVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNS/c13-9-4-5-17-11(9)7-16-6-8-2-1-3-10(14)12(8)15/h1-5,16H,6-7H2.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine?
N-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine has a molecular weight of 334.64 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine is sourced from PubChem (CID 115695957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).