1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine

C14H16BrN3 — CID 112582054

IUPAC1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NCc1cccc(Br)n1
InChIInChI=1S/C14H16BrN3/c1-18(2)13-8-4-3-7-12(13)16-10-11-6-5-9-14(15)17-11/h3-9,16H,10H2,1-2H3
InChIKeyVKDMFUUUHRSGDT-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.52
Rot. Bonds4

About 1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 112582054) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID112582054
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NCc1cccc(Br)n1
InChIInChI=1S/C14H16BrN3/c1-18(2)13-8-4-3-7-12(13)16-10-11-6-5-9-14(15)17-11/h3-9,16H,10H2,1-2H3
InChIKeyVKDMFUUUHRSGDT-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline
CID 112581724
N-[(6-bromo-2-pyridinyl)methyl]-2-methylsulfanylaniline
CID 112581978
N-[(6-bromo-2-pyridinyl)methyl]-2-ethylsulfonylaniline
CID 115938075
2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 115938117
N-[(6-bromo-2-pyridinyl)methyl]-2,4,5-trichloroaniline
CID 112581720
1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726538
N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 115937864
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726653
1-N-[(5-bromothiophen-2-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726526
2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496
N-[(6-bromo-2-pyridinyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 112581995
2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 43726392

Frequently Asked Questions

What is the IUPAC name of 1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine (CID 112582054) is 1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1ccccc1NCc1cccc(Br)n1.
What is the InChIKey of 1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is VKDMFUUUHRSGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-18(2)13-8-4-3-7-12(13)16-10-11-6-5-9-14(15)17-11/h3-9,16H,10H2,1-2H3.
What are the key properties of 1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 306.21 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 112582054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).