3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine

C14H15BrN2 — CID 104776934

IUPAC3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine
SMILESCc1ccccc1C(C)Nc1ccncc1Br
InChIInChI=1S/C14H15BrN2/c1-10-5-3-4-6-12(10)11(2)17-14-7-8-16-9-13(14)15/h3-9,11H,1-2H3,(H,16,17)
InChIKeyAWFOJNZWQGDSRI-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.33
Rot. Bonds3

About 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine

3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine (PubChem CID 104776934) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine
PubChem CID104776934
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine
SMILESCc1ccccc1C(C)Nc1ccncc1Br
InChIInChI=1S/C14H15BrN2/c1-10-5-3-4-6-12(10)11(2)17-14-7-8-16-9-13(14)15/h3-9,11H,1-2H3,(H,16,17)
InChIKeyAWFOJNZWQGDSRI-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide
CID 114288327
3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine
CID 104776798
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
2-methyl-N-[1-(2-methylphenyl)ethyl]pyridin-3-amine
CID 79041978
N-[1-(4-methyl-3-pyridinyl)ethyl]aniline
CID 115888646
3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine
CID 104779520
3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 79769972
3-bromo-4-[1-(2-methylphenyl)ethylamino]benzoic acid
CID 82800677
N-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 113354114
N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine
CID 43681370
4-bromo-5-[1-(2-methylphenyl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114435847
3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine
CID 107645873

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine?
The IUPAC name of 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine (CID 104776934) is 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine?
The canonical SMILES for 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine is Cc1ccccc1C(C)Nc1ccncc1Br.
What is the InChIKey of 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine?
The InChIKey is AWFOJNZWQGDSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10-5-3-4-6-12(10)11(2)17-14-7-8-16-9-13(14)15/h3-9,11H,1-2H3,(H,16,17).
What are the key properties of 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine?
3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine has a molecular weight of 291.19 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine is sourced from PubChem (CID 104776934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).