2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine

C14H15BrFN3 — CID 115147720

IUPAC2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine
SMILESCc1nc(N(C)Cc2cc(Br)ccc2F)ccc1N
InChIInChI=1S/C14H15BrFN3/c1-9-13(17)5-6-14(18-9)19(2)8-10-7-11(15)3-4-12(10)16/h3-7H,8,17H2,1-2H3
InChIKeySWQNUIRGNWMXFA-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.51
Rot. Bonds3

About 2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine

2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine (PubChem CID 115147720) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine
PubChem CID115147720
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine
SMILESCc1nc(N(C)Cc2cc(Br)ccc2F)ccc1N
InChIInChI=1S/C14H15BrFN3/c1-9-13(17)5-6-14(18-9)19(2)8-10-7-11(15)3-4-12(10)16/h3-7H,8,17H2,1-2H3
InChIKeySWQNUIRGNWMXFA-UHFFFAOYSA-N
XLogP3.51
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(2,4-difluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine
CID 115147712
N-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine
CID 133469076
2-N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-2-N-methylbenzene-1,2-diamine
CID 115125806
2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine
CID 115147642
2-N-[2-(2-bromophenyl)ethyl]-2-N,6-dimethylpyridine-2,5-diamine
CID 115147784
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide
CID 154805238
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
[2-(5-bromo-2-fluorophenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253385
2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine
CID 107466018
3-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 43457980
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 115244251
[4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 115213240

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine (CID 115147720) is 2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine is Cc1nc(N(C)Cc2cc(Br)ccc2F)ccc1N.
What is the InChIKey of 2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine?
The InChIKey is SWQNUIRGNWMXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-9-13(17)5-6-14(18-9)19(2)8-10-7-11(15)3-4-12(10)16/h3-7H,8,17H2,1-2H3.
What are the key properties of 2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine?
2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine has a molecular weight of 324.20 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 115147720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).