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

C12H10BrF2NS — CID 115579770

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine
SMILESFc1cc(F)cc(CNCc2cc(Br)cs2)c1
InChIInChI=1S/C12H10BrF2NS/c13-9-3-12(17-7-9)6-16-5-8-1-10(14)4-11(15)2-8/h1-4,7,16H,5-6H2
InChIKeyOSMSNYQTBJOOLQ-UHFFFAOYSA-N
MW318.19 g/mol
LogP4.08
Rot. Bonds4

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

N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine (PubChem CID 115579770) has the molecular formula C12H10BrF2NS and a molecular weight of 318.19 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine
PubChem CID115579770
Molecular FormulaC12H10BrF2NS
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine
SMILESFc1cc(F)cc(CNCc2cc(Br)cs2)c1
InChIInChI=1S/C12H10BrF2NS/c13-9-3-12(17-7-9)6-16-5-8-1-10(14)4-11(15)2-8/h1-4,7,16H,5-6H2
InChIKeyOSMSNYQTBJOOLQ-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

N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine
CID 104953472
N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
CID 4792507
N-[(4-bromothiophen-2-yl)methyl]-2-(3,5-difluorophenoxy)ethanamine
CID 55112857
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 28833082
N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
CID 28833347
4-[[(4-bromothiophen-2-yl)methylamino]methyl]-2-fluorobenzoic acid
CID 106700156
N-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine
CID 60975561
2-bromo-4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenol
CID 60957070
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 28833084
N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66397930
N-[(4-bromothiophen-2-yl)methyl]-1-[3-bromo-4-(trifluoromethoxy)phenyl]methanamine
CID 107342370
1-(3-bromo-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 79710421

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine (CID 115579770) is N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine is Fc1cc(F)cc(CNCc2cc(Br)cs2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine?
The InChIKey is OSMSNYQTBJOOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NS/c13-9-3-12(17-7-9)6-16-5-8-1-10(14)4-11(15)2-8/h1-4,7,16H,5-6H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine?
N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-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-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine is sourced from PubChem (CID 115579770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).