N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine

C12H11BrFNS — CID 43114066

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine
SMILESFc1cccc(CNCc2ccc(Br)s2)c1
InChIInChI=1S/C12H11BrFNS/c13-12-5-4-11(16-12)8-15-7-9-2-1-3-10(14)6-9/h1-6,15H,7-8H2
InChIKeyCHJVIWFHDUFFPV-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.94
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine

N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine (PubChem CID 43114066) has the molecular formula C12H11BrFNS and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine
PubChem CID43114066
Molecular FormulaC12H11BrFNS
Molecular Weight300.20 g/mol
Exact Mass298.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine
SMILESFc1cccc(CNCc2ccc(Br)s2)c1
InChIInChI=1S/C12H11BrFNS/c13-12-5-4-11(16-12)8-15-7-9-2-1-3-10(14)6-9/h1-6,15H,7-8H2
InChIKeyCHJVIWFHDUFFPV-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111875839
N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 60744264
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
1-[2-(5-bromothiophen-2-yl)ethyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111863294
N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine
CID 54900023
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one
CID 62621544
1-[(5-bromothiophen-2-yl)methyl]-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111394918
4-[[(5-bromothiophen-2-yl)methylamino]methyl]-2-fluorobenzoic acid
CID 106699777
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 78981347
1-(4-bromo-3-methylphenyl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 66472417
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43123260

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine (CID 43114066) is N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine is Fc1cccc(CNCc2ccc(Br)s2)c1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine?
The InChIKey is CHJVIWFHDUFFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNS/c13-12-5-4-11(16-12)8-15-7-9-2-1-3-10(14)6-9/h1-6,15H,7-8H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine?
N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine has a molecular weight of 300.20 g/mol, XLogP of 3.94, 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-(3-fluorophenyl)methanamine is sourced from PubChem (CID 43114066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).