5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine

C15H17BrN2 — CID 115146816

IUPAC5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine
SMILESCc1ccc(CCNc2ccc(Br)cn2)c(C)c1
InChIInChI=1S/C15H17BrN2/c1-11-3-4-13(12(2)9-11)7-8-17-15-6-5-14(16)10-18-15/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeyOGOUZRZYURRCSC-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.12
Rot. Bonds4

About 5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine

5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine (PubChem CID 115146816) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine
PubChem CID115146816
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine
SMILESCc1ccc(CCNc2ccc(Br)cn2)c(C)c1
InChIInChI=1S/C15H17BrN2/c1-11-3-4-13(12(2)9-11)7-8-17-15-6-5-14(16)10-18-15/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeyOGOUZRZYURRCSC-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine
CID 115146824
N-[2-(2,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 133299032
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine
CID 115146811
5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine
CID 115146686
5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 60904047
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542
5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine
CID 62040259
N-(5-bromo-2-pyridinyl)-3-(2,4-dimethylphenoxy)propanamide
CID 55756614
5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63330454
5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine
CID 115148643
2-(2,4-dimethylphenyl)-N-ethylethanamine
CID 62801673

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine (CID 115146816) is 5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine is Cc1ccc(CCNc2ccc(Br)cn2)c(C)c1.
What is the InChIKey of 5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine?
The InChIKey is OGOUZRZYURRCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11-3-4-13(12(2)9-11)7-8-17-15-6-5-14(16)10-18-15/h3-6,9-10H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine?
5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine has a molecular weight of 305.22 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 115146816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).