N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline

C14H15BrN2 — CID 104796608

IUPACN-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2cncc(Br)c2)c(C)c1
InChIInChI=1S/C14H15BrN2/c1-10-3-4-14(11(2)5-10)17-8-12-6-13(15)9-16-7-12/h3-7,9,17H,8H2,1-2H3
InChIKeyUFWDJCKTYRYUDP-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.07
Rot. Bonds3

About N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline

N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline (PubChem CID 104796608) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline
PubChem CID104796608
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2cncc(Br)c2)c(C)c1
InChIInChI=1S/C14H15BrN2/c1-10-3-4-14(11(2)5-10)17-8-12-6-13(15)9-16-7-12/h3-7,9,17H,8H2,1-2H3
InChIKeyUFWDJCKTYRYUDP-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline
CID 104797103
3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-methylaniline
CID 104857012
N-[(5-bromo-3-pyridinyl)methyl]-3,4-dimethylaniline
CID 104796669
4-bromo-N-[(5-bromo-3-pyridinyl)methyl]-3-methylaniline
CID 104796643
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine
CID 104796752
4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102880846
N-[(5-bromo-3-pyridinyl)methyl]-2,6-difluoro-3-methylaniline
CID 104797104
N-[(3-bromo-5-nitrophenyl)methyl]-2,4-dimethylaniline
CID 103350428
3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
CID 115580431
N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline
CID 104953842
2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-methylaniline
CID 104953898
N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline
CID 107037421

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline (CID 104796608) is N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline is Cc1ccc(NCc2cncc(Br)c2)c(C)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline?
The InChIKey is UFWDJCKTYRYUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10-3-4-14(11(2)5-10)17-8-12-6-13(15)9-16-7-12/h3-7,9,17H,8H2,1-2H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline?
N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline has a molecular weight of 291.19 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline is sourced from PubChem (CID 104796608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).