2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline

C13H11BrF2N2 — CID 60864008

IUPAC2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline
SMILESFc1cc(F)c(NCCc2ccccn2)c(Br)c1
InChIInChI=1S/C13H11BrF2N2/c14-11-7-9(15)8-12(16)13(11)18-6-4-10-3-1-2-5-17-10/h1-3,5,7-8,18H,4,6H2
InChIKeyLEUACQMBNLWLBR-UHFFFAOYSA-N
MW313.15 g/mol
LogP3.78
Rot. Bonds4

About 2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline

2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline (PubChem CID 60864008) has the molecular formula C13H11BrF2N2 and a molecular weight of 313.15 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline
PubChem CID60864008
Molecular FormulaC13H11BrF2N2
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline
SMILESFc1cc(F)c(NCCc2ccccn2)c(Br)c1
InChIInChI=1S/C13H11BrF2N2/c14-11-7-9(15)8-12(16)13(11)18-6-4-10-3-1-2-5-17-10/h1-3,5,7-8,18H,4,6H2
InChIKeyLEUACQMBNLWLBR-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-fluoro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 66110681
3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile
CID 78981152
3,5-difluoro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 112675532
3,5-difluoro-2-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 115507663
5-chloro-2-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60864899
2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline
CID 54952691
2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline
CID 61076812
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 28579130
1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine;copper(1+);tetrafluoroborate
CID 139182393
3-(2-pyridin-2-ylethylamino)phenol
CID 15597531
2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60721568
2-bromo-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline
CID 63867024

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline?
The IUPAC name of 2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline (CID 60864008) is 2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline is Fc1cc(F)c(NCCc2ccccn2)c(Br)c1.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline?
The InChIKey is LEUACQMBNLWLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2/c14-11-7-9(15)8-12(16)13(11)18-6-4-10-3-1-2-5-17-10/h1-3,5,7-8,18H,4,6H2.
What are the key properties of 2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline?
2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline has a molecular weight of 313.15 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 60864008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).