N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine

C15H17BrN2 — CID 115799160

IUPACN-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1cc(Br)ccc1C
InChIInChI=1S/C15H17BrN2/c1-3-18-15(12-5-4-8-17-10-12)14-9-13(16)7-6-11(14)2/h4-10,15,18H,3H2,1-2H3
InChIKeyHTVQEDBSAXRJOO-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.85
Rot. Bonds4

About N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine

N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 115799160) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine
PubChem CID115799160
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC NameN-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1cc(Br)ccc1C
InChIInChI=1S/C15H17BrN2/c1-3-18-15(12-5-4-8-17-10-12)14-9-13(16)7-6-11(14)2/h4-10,15,18H,3H2,1-2H3
InChIKeyHTVQEDBSAXRJOO-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43493541
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018537
N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 114330731
N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098171
N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 43491878
N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098243
N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 106645324
N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 102831849
N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43494512
N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098479
N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 65308141

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine (CID 115799160) is N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)c1cc(Br)ccc1C.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is HTVQEDBSAXRJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-3-18-15(12-5-4-8-17-10-12)14-9-13(16)7-6-11(14)2/h4-10,15,18H,3H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine?
N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 305.22 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 115799160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).