5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine

C14H14Br2N2 — CID 114869184

IUPAC5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(NC(C)c2cccc(Br)c2)ncc1Br
InChIInChI=1S/C14H14Br2N2/c1-9-6-14(17-8-13(9)16)18-10(2)11-4-3-5-12(15)7-11/h3-8,10H,1-2H3,(H,17,18)
InChIKeyUXTPRPWKTBMOSW-UHFFFAOYSA-N
MW370.09 g/mol
LogP5.09
Rot. Bonds3

About 5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine

5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine (PubChem CID 114869184) has the molecular formula C14H14Br2N2 and a molecular weight of 370.09 g/mol. Its IUPAC name is 5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine
PubChem CID114869184
Molecular FormulaC14H14Br2N2
Molecular Weight370.09 g/mol
Exact Mass367.95
IUPAC Name5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(NC(C)c2cccc(Br)c2)ncc1Br
InChIInChI=1S/C14H14Br2N2/c1-9-6-14(17-8-13(9)16)18-10(2)11-4-3-5-12(15)7-11/h3-8,10H,1-2H3,(H,17,18)
InChIKeyUXTPRPWKTBMOSW-UHFFFAOYSA-N
XLogP5.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.09
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80808089
N-[1-(3-bromophenyl)ethyl]pyridin-2-amine
CID 60969828
2-[1-(3-bromophenyl)ethylamino]-5-chloropyridine-4-carboxylic acid
CID 114919409
2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 62475884
2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine
CID 78988750
N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine
CID 80905386
5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine
CID 133404438
4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80807102
4-N-[1-(3-bromophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80808005
5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114869215
5-bromo-N-(1-cyclopropylethyl)-4-methylpyridin-2-amine
CID 115773894
4-N-[1-(3-bromophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564530

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine (CID 114869184) is 5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine is Cc1cc(NC(C)c2cccc(Br)c2)ncc1Br.
What is the InChIKey of 5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine?
The InChIKey is UXTPRPWKTBMOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2/c1-9-6-14(17-8-13(9)16)18-10(2)11-4-3-5-12(15)7-11/h3-8,10H,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine?
5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine has a molecular weight of 370.09 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 114869184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).