N-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline

C12H10BrF2NO — CID 82819196

IUPACN-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline
SMILESCc1ccc(F)c(NCc2ccc(Br)o2)c1F
InChIInChI=1S/C12H10BrF2NO/c1-7-2-4-9(14)12(11(7)15)16-6-8-3-5-10(13)17-8/h2-5,16H,6H2,1H3
InChIKeyYVDGDEUZCCTUGX-UHFFFAOYSA-N
MW302.12 g/mol
LogP4.24
Rot. Bonds3

About N-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline

N-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline (PubChem CID 82819196) has the molecular formula C12H10BrF2NO and a molecular weight of 302.12 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline
PubChem CID82819196
Molecular FormulaC12H10BrF2NO
Molecular Weight302.12 g/mol
Exact Mass300.99
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline
SMILESCc1ccc(F)c(NCc2ccc(Br)o2)c1F
InChIInChI=1S/C12H10BrF2NO/c1-7-2-4-9(14)12(11(7)15)16-6-8-3-5-10(13)17-8/h2-5,16H,6H2,1H3
InChIKeyYVDGDEUZCCTUGX-UHFFFAOYSA-N
XLogP4.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dibromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline
CID 82819033
2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline
CID 43347655
2,6-difluoro-3-methyl-N-(1,3-oxazol-5-ylmethyl)aniline
CID 82816076
N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818051
5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline
CID 43555430
4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline
CID 107571841
N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline
CID 43716493
methyl 5-[(5-bromofuran-2-yl)methylamino]-2-fluorobenzoate
CID 43715401
4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline
CID 107609488
1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 16787243
N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818225
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 114842579

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline (CID 82819196) is N-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline is Cc1ccc(F)c(NCc2ccc(Br)o2)c1F.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline?
The InChIKey is YVDGDEUZCCTUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NO/c1-7-2-4-9(14)12(11(7)15)16-6-8-3-5-10(13)17-8/h2-5,16H,6H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline?
N-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline has a molecular weight of 302.12 g/mol, XLogP of 4.24, 3 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]-2,6-difluoro-3-methylaniline is sourced from PubChem (CID 82819196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).