N-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine

C13H12BrF2N — CID 115406977

IUPACN-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H12BrF2N/c14-12-4-3-10-5-9(1-2-11(10)6-12)7-17-8-13(15)16/h1-6,13,17H,7-8H2
InChIKeyNGAHGOAVGURPIJ-UHFFFAOYSA-N
MW300.15 g/mol
LogP3.96
Rot. Bonds4

About N-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine

N-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine (PubChem CID 115406977) has the molecular formula C13H12BrF2N and a molecular weight of 300.15 g/mol. Its IUPAC name is N-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine
PubChem CID115406977
Molecular FormulaC13H12BrF2N
Molecular Weight300.15 g/mol
Exact Mass299.01
IUPAC NameN-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H12BrF2N/c14-12-4-3-10-5-9(1-2-11(10)6-12)7-17-8-13(15)16/h1-6,13,17H,7-8H2
InChIKeyNGAHGOAVGURPIJ-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine
CID 115407132
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine
CID 115406997
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
2,6-dibromonaphthalene
CID 640591
6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine
CID 81266198
N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine
CID 87065341
N-[(4-tert-butylphenyl)methyl]-2,2-difluoroethanamine
CID 115405867
2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 115406032
3-bromo-N-(naphthalen-2-ylmethyl)aniline
CID 28555096
N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine
CID 115523883
N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine
CID 115406141
2-bromo-6-(2,2-dimethylpropyl)naphthalene
CID 118494788

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine (CID 115406977) is N-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine is FC(F)CNCc1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is NGAHGOAVGURPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N/c14-12-4-3-10-5-9(1-2-11(10)6-12)7-17-8-13(15)16/h1-6,13,17H,7-8H2.
What are the key properties of N-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine?
N-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 300.15 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115406977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).