3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine

C14H14Br2N2 — CID 113413714

IUPAC3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
SMILESCc1ccccc1CCNc1ncc(Br)cc1Br
InChIInChI=1S/C14H14Br2N2/c1-10-4-2-3-5-11(10)6-7-17-14-13(16)8-12(15)9-18-14/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyUMPKDGZWZZYGPI-UHFFFAOYSA-N
MW370.09 g/mol
LogP4.57
Rot. Bonds4

About 3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine

3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine (PubChem CID 113413714) has the molecular formula C14H14Br2N2 and a molecular weight of 370.09 g/mol. Its IUPAC name is 3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
PubChem CID113413714
Molecular FormulaC14H14Br2N2
Molecular Weight370.09 g/mol
Exact Mass367.95
IUPAC Name3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
SMILESCc1ccccc1CCNc1ncc(Br)cc1Br
InChIInChI=1S/C14H14Br2N2/c1-10-4-2-3-5-11(10)6-7-17-14-13(16)8-12(15)9-18-14/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyUMPKDGZWZZYGPI-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.09
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine
CID 12611962
5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 114072528
5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine
CID 84608837
3-bromo-4-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 104508079
3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 56571040
3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine
CID 113413693
5-amino-6-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 103468756
3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 113413696
5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 105369517
5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106795925
5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine
CID 115148643
N-(5-bromo-3-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 81489668

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine (CID 113413714) is 3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine is Cc1ccccc1CCNc1ncc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine?
The InChIKey is UMPKDGZWZZYGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2/c1-10-4-2-3-5-11(10)6-7-17-14-13(16)8-12(15)9-18-14/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of 3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine?
3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine has a molecular weight of 370.09 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 113413714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).