N-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline

C14H12BrF2N — CID 106268356

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1c(F)ccc(Br)c1F)c1ccccc1
InChIInChI=1S/C14H12BrF2N/c1-18(10-5-3-2-4-6-10)9-11-13(16)8-7-12(15)14(11)17/h2-8H,9H2,1H3
InChIKeyQDSYFDPXTXDNJH-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.36
Rot. Bonds3

About N-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline

N-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline (PubChem CID 106268356) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline
PubChem CID106268356
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1c(F)ccc(Br)c1F)c1ccccc1
InChIInChI=1S/C14H12BrF2N/c1-18(10-5-3-2-4-6-10)9-11-13(16)8-7-12(15)14(11)17/h2-8H,9H2,1H3
InChIKeyQDSYFDPXTXDNJH-UHFFFAOYSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]benzonitrile
CID 106263993
2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]benzenecarbothioamide
CID 106264042
3-[N-[(3-bromo-2,6-difluorophenyl)methyl]anilino]propanenitrile
CID 106263980
2-[(3-bromo-2,6-difluorophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 114165830
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine
CID 106268713
2-[(3-bromo-2,6-difluorophenyl)methyl]-1,1-dimethylhydrazine
CID 106263667
2-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
CID 106264357
N'-[(3-bromo-2,6-difluorophenyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 106269278
1-[[(3-bromo-2,6-difluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 106269248
2-[(3-bromo-2,6-difluorophenyl)methyl-propylamino]acetic acid
CID 106264703
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine
CID 106268507
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylbutan-1-amine
CID 106268403

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline (CID 106268356) is N-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline is CN(Cc1c(F)ccc(Br)c1F)c1ccccc1.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline?
The InChIKey is QDSYFDPXTXDNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c1-18(10-5-3-2-4-6-10)9-11-13(16)8-7-12(15)14(11)17/h2-8H,9H2,1H3.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline?
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline has a molecular weight of 312.16 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 106268356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).