5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine

C14H15BrN2 — CID 113260946

IUPAC5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine
SMILESCc1cccc(C)c1CNc1cncc(Br)c1
InChIInChI=1S/C14H15BrN2/c1-10-4-3-5-11(2)14(10)9-17-13-6-12(15)7-16-8-13/h3-8,17H,9H2,1-2H3
InChIKeyBRTGEBHAJHPQKW-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.07
Rot. Bonds3

About 5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine

5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine (PubChem CID 113260946) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine
PubChem CID113260946
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine
SMILESCc1cccc(C)c1CNc1cncc(Br)c1
InChIInChI=1S/C14H15BrN2/c1-10-4-3-5-11(2)14(10)9-17-13-6-12(15)7-16-8-13/h3-8,17H,9H2,1-2H3
InChIKeyBRTGEBHAJHPQKW-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

5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine
CID 103854608
5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine
CID 115770598
3-bromo-N-[(2,6-dimethylphenyl)methyl]-5-methoxyaniline
CID 82868424
5-bromo-N-(pyrimidin-5-ylmethyl)pyridin-3-amine
CID 115770593
5-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 115748884
5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine
CID 133318444
5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine
CID 115908697
5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine
CID 103702616
N-[(5-bromo-3-pyridinyl)methyl]-3,4-dimethylaniline
CID 104796669
5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine
CID 133316898
5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine
CID 166866277
4-bromo-N-[(5-bromo-3-pyridinyl)methyl]-3-methylaniline
CID 104796643

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine (CID 113260946) is 5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine is Cc1cccc(C)c1CNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine?
The InChIKey is BRTGEBHAJHPQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10-4-3-5-11(2)14(10)9-17-13-6-12(15)7-16-8-13/h3-8,17H,9H2,1-2H3.
What are the key properties of 5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine?
5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine 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 5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 113260946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).