N-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine

C17H12BrF2N — CID 106263071

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine
SMILESFc1ccc(Br)c(F)c1CNc1cccc2ccccc12
InChIInChI=1S/C17H12BrF2N/c18-14-8-9-15(19)13(17(14)20)10-21-16-7-3-5-11-4-1-2-6-12(11)16/h1-9,21H,10H2
InChIKeyODFYZRXQYWHNBE-UHFFFAOYSA-N
MW348.19 g/mol
LogP5.49
Rot. Bonds3

About N-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine

N-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine (PubChem CID 106263071) has the molecular formula C17H12BrF2N and a molecular weight of 348.19 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine
PubChem CID106263071
Molecular FormulaC17H12BrF2N
Molecular Weight348.19 g/mol
Exact Mass347.01
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine
SMILESFc1ccc(Br)c(F)c1CNc1cccc2ccccc12
InChIInChI=1S/C17H12BrF2N/c18-14-8-9-15(19)13(17(14)20)10-21-16-7-3-5-11-4-1-2-6-12(11)16/h1-9,21H,10H2
InChIKeyODFYZRXQYWHNBE-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.19
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
CID 106263151
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-(1-chloroethyl)aniline
CID 106272327
5-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,4-difluoroaniline
CID 106263798
N-[(3-bromo-2,6-difluorophenyl)methyl]-2,4-difluoroaniline
CID 106263145
2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline
CID 106263661
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoroaniline
CID 106263519
N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline
CID 106263110
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
CID 106263591
N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine
CID 81144303
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline
CID 106263172
2-[(3-bromo-2,6-difluorophenyl)methyl]-1,1-dimethylhydrazine
CID 106263667
(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine
CID 106263465

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine (CID 106263071) is N-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine is Fc1ccc(Br)c(F)c1CNc1cccc2ccccc12.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine?
The InChIKey is ODFYZRXQYWHNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF2N/c18-14-8-9-15(19)13(17(14)20)10-21-16-7-3-5-11-4-1-2-6-12(11)16/h1-9,21H,10H2.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine?
N-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine has a molecular weight of 348.19 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine is sourced from PubChem (CID 106263071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).