N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine

C12H10BrF2NS — CID 60744264

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine
SMILESFc1ccc(CNCc2ccc(Br)s2)cc1F
InChIInChI=1S/C12H10BrF2NS/c13-12-4-2-9(17-12)7-16-6-8-1-3-10(14)11(15)5-8/h1-5,16H,6-7H2
InChIKeyKFSQAMUUWUOVFK-UHFFFAOYSA-N
MW318.19 g/mol
LogP4.08
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine

N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine (PubChem CID 60744264) has the molecular formula C12H10BrF2NS and a molecular weight of 318.19 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine
PubChem CID60744264
Molecular FormulaC12H10BrF2NS
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine
SMILESFc1ccc(CNCc2ccc(Br)s2)cc1F
InChIInChI=1S/C12H10BrF2NS/c13-12-4-2-9(17-12)7-16-6-8-1-3-10(14)11(15)5-8/h1-5,16H,6-7H2
InChIKeyKFSQAMUUWUOVFK-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(5-bromothiophen-2-yl)methylamino]methyl]-2-fluorobenzoic acid
CID 106699777
N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43114066
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
1-(4-bromo-3-methylphenyl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 66472417
4-[[(5-bromothiophen-2-yl)methylamino]methyl]phenol
CID 60744040
1-(1,3-benzodioxol-5-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 28650039
N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 79420434
N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 115876137
4-[[(5-bromothiophen-2-yl)methylamino]methyl]-2,6-dichloroaniline
CID 82840620
5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 3745501
2-(5-bromothiophen-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 113227156
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine (CID 60744264) is N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine is Fc1ccc(CNCc2ccc(Br)s2)cc1F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine?
The InChIKey is KFSQAMUUWUOVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NS/c13-12-4-2-9(17-12)7-16-6-8-1-3-10(14)11(15)5-8/h1-5,16H,6-7H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine?
N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine has a molecular weight of 318.19 g/mol, XLogP of 4.08, 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-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 60744264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).