6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine

C15H18BrN3 — CID 104600047

IUPAC6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine
SMILESCc1nc(Br)ccc1NCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H18BrN3/c1-11-14(8-9-15(16)18-11)17-10-12-4-6-13(7-5-12)19(2)3/h4-9,17H,10H2,1-3H3
InChIKeyGEJPWBCKRCCTTQ-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.83
Rot. Bonds4

About 6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine

6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine (PubChem CID 104600047) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine
PubChem CID104600047
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine
SMILESCc1nc(Br)ccc1NCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H18BrN3/c1-11-14(8-9-15(16)18-11)17-10-12-4-6-13(7-5-12)19(2)3/h4-9,17H,10H2,1-3H3
InChIKeyGEJPWBCKRCCTTQ-UHFFFAOYSA-N
XLogP3.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[(4-chlorophenyl)methyl]-2-methylpyridin-3-amine
CID 114050706
6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
CID 114050710
6-bromo-2-methyl-N-[(4-nitrophenyl)methyl]pyridin-3-amine
CID 104599960
3-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 107630152
5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol
CID 104600016
6-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 113431279
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine
CID 104600023
4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 5209751
6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine
CID 104600033
N-[[4-(dimethylamino)phenyl]methyl]pyren-1-amine
CID 139928428
6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 113431275
2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol
CID 104599949

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine?
The IUPAC name of 6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine (CID 104600047) is 6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine.
What is the SMILES notation for 6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine?
The canonical SMILES for 6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine is Cc1nc(Br)ccc1NCc1ccc(N(C)C)cc1.
What is the InChIKey of 6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine?
The InChIKey is GEJPWBCKRCCTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-11-14(8-9-15(16)18-11)17-10-12-4-6-13(7-5-12)19(2)3/h4-9,17H,10H2,1-3H3.
What are the key properties of 6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine?
6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine has a molecular weight of 320.23 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine is sourced from PubChem (CID 104600047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).