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

C14H15BrN2 — CID 104796669

IUPACN-[(5-bromo-3-pyridinyl)methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2cncc(Br)c2)cc1C
InChIInChI=1S/C14H15BrN2/c1-10-3-4-14(5-11(10)2)17-8-12-6-13(15)9-16-7-12/h3-7,9,17H,8H2,1-2H3
InChIKeyDUPJFDPZAZMKJR-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.07
Rot. Bonds3

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

N-[(5-bromo-3-pyridinyl)methyl]-3,4-dimethylaniline (PubChem CID 104796669) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-3,4-dimethylaniline
PubChem CID104796669
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2cncc(Br)c2)cc1C
InChIInChI=1S/C14H15BrN2/c1-10-3-4-14(5-11(10)2)17-8-12-6-13(15)9-16-7-12/h3-7,9,17H,8H2,1-2H3
InChIKeyDUPJFDPZAZMKJR-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

4-bromo-N-[(5-bromo-3-pyridinyl)methyl]-3-methylaniline
CID 104796643
N-[(5-bromo-3-pyridinyl)methyl]-3,4-dichloroaniline
CID 113454105
N-[(5-bromo-3-pyridinyl)methyl]-2,6-difluoro-3-methylaniline
CID 104797104
N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline
CID 104796608
N-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 104796664
1-N-[(5-bromo-3-pyridinyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113454201
4-[(5-bromo-3-pyridinyl)methylamino]-2-chlorobenzonitrile
CID 104796715
2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline
CID 104797103
3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-methylaniline
CID 104857012
3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 39375964
N-(furan-3-ylmethyl)-3,4-dimethylaniline
CID 63204332
4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline
CID 102880807

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-3,4-dimethylaniline?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-3,4-dimethylaniline (CID 104796669) is N-[(5-bromo-3-pyridinyl)methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-3,4-dimethylaniline is Cc1ccc(NCc2cncc(Br)c2)cc1C.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-3,4-dimethylaniline?
The InChIKey is DUPJFDPZAZMKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10-3-4-14(5-11(10)2)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]-3,4-dimethylaniline?
N-[(5-bromo-3-pyridinyl)methyl]-3,4-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]-3,4-dimethylaniline is sourced from PubChem (CID 104796669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).