1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine

C16H19BrN2 — CID 114330552

IUPAC1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cc(C)c(Br)c(C)c1)c1cnccc1C
InChIInChI=1S/C16H19BrN2/c1-10-5-6-19-9-14(10)16(18-4)13-7-11(2)15(17)12(3)8-13/h5-9,16,18H,1-4H3
InChIKeyUSAUUEPTGSVXKD-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.08
Rot. Bonds3

About 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine

1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine (PubChem CID 114330552) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
PubChem CID114330552
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cc(C)c(Br)c(C)c1)c1cnccc1C
InChIInChI=1S/C16H19BrN2/c1-10-5-6-19-9-14(10)16(18-4)13-7-11(2)15(17)12(3)8-13/h5-9,16,18H,1-4H3
InChIKeyUSAUUEPTGSVXKD-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 114330731
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 66426235
3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105279471
N-methyl-1-(4-methyl-3-pyridinyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 114878144
3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine
CID 114330472
1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 114330491
[(3-bromo-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320502
1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114887123
3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine
CID 103083626
1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006295
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 106792054
[(3-bromo-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320516

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine (CID 114330552) is 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine is CNC(c1cc(C)c(Br)c(C)c1)c1cnccc1C.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is USAUUEPTGSVXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-10-5-6-19-9-14(10)16(18-4)13-7-11(2)15(17)12(3)8-13/h5-9,16,18H,1-4H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 319.25 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 114330552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).