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

C12H10BrF2NO — CID 62222221

IUPACN-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine
SMILESFc1ccc(CNCc2ccc(Br)o2)c(F)c1
InChIInChI=1S/C12H10BrF2NO/c13-12-4-3-10(17-12)7-16-6-8-1-2-9(14)5-11(8)15/h1-5,16H,6-7H2
InChIKeyDQLRSBUAGGSAPM-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.61
Rot. Bonds4

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

N-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine (PubChem CID 62222221) has the molecular formula C12H10BrF2NO and a molecular weight of 302.12 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine
PubChem CID62222221
Molecular FormulaC12H10BrF2NO
Molecular Weight302.12 g/mol
Exact Mass300.99
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine
SMILESFc1ccc(CNCc2ccc(Br)o2)c(F)c1
InChIInChI=1S/C12H10BrF2NO/c13-12-4-3-10(17-12)7-16-6-8-1-2-9(14)5-11(8)15/h1-5,16H,6-7H2
InChIKeyDQLRSBUAGGSAPM-UHFFFAOYSA-N
XLogP3.61
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43123260
1-(4-bromo-2-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 55081450
4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline
CID 107609488
N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352064
N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 62369252
5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline
CID 43555430
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine
CID 28582593
1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79495143
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 78921861
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
CID 58696093
CID 58696093

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine (CID 62222221) is N-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine is Fc1ccc(CNCc2ccc(Br)o2)c(F)c1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine?
The InChIKey is DQLRSBUAGGSAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NO/c13-12-4-3-10(17-12)7-16-6-8-1-2-9(14)5-11(8)15/h1-5,16H,6-7H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine?
N-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine has a molecular weight of 302.12 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine is sourced from PubChem (CID 62222221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).