N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine

C12H10BrClFNS — CID 54900023

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2ccc(Br)s2)c(Cl)c1
InChIInChI=1S/C12H10BrClFNS/c13-12-4-3-10(17-12)7-16-6-8-1-2-9(15)5-11(8)14/h1-5,16H,6-7H2
InChIKeyHSTKHMOMNLHWMF-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.59
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine

N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine (PubChem CID 54900023) has the molecular formula C12H10BrClFNS and a molecular weight of 334.64 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine
PubChem CID54900023
Molecular FormulaC12H10BrClFNS
Molecular Weight334.64 g/mol
Exact Mass332.94
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2ccc(Br)s2)c(Cl)c1
InChIInChI=1S/C12H10BrClFNS/c13-12-4-3-10(17-12)7-16-6-8-1-2-9(15)5-11(8)14/h1-5,16H,6-7H2
InChIKeyHSTKHMOMNLHWMF-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

2-[[(5-bromothiophen-2-yl)methylamino]methyl]-4-fluorophenol
CID 113356869
N-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine
CID 60975561
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43114066
N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)ethanamine
CID 54900157
N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine
CID 60744211
4-[[(5-bromothiophen-2-yl)methylamino]methyl]-2,6-dichloroaniline
CID 82840620
1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415684
N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 60744264
2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline
CID 28938849
N-[(2-chloro-4-fluorophenyl)methyl]prop-2-en-1-amine
CID 28563338
4-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]-3-chlorobenzamide
CID 106046852

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine (CID 54900023) is N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine is Fc1ccc(CNCc2ccc(Br)s2)c(Cl)c1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine?
The InChIKey is HSTKHMOMNLHWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNS/c13-12-4-3-10(17-12)7-16-6-8-1-2-9(15)5-11(8)14/h1-5,16H,6-7H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine?
N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-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-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine is sourced from PubChem (CID 54900023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).