1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine

C14H15BrN2 — CID 63155712

IUPAC1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(C)(N)c2ccc(Br)cc2)cn1
InChIInChI=1S/C14H15BrN2/c1-10-3-4-12(9-17-10)14(2,16)11-5-7-13(15)8-6-11/h3-9H,16H2,1-2H3
InChIKeyFOFOECFTOPHAQN-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.37
Rot. Bonds2

About 1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine

1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 63155712) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
PubChem CID63155712
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(C)(N)c2ccc(Br)cc2)cn1
InChIInChI=1S/C14H15BrN2/c1-10-3-4-12(9-17-10)14(2,16)11-5-7-13(15)8-6-11/h3-9H,16H2,1-2H3
InChIKeyFOFOECFTOPHAQN-UHFFFAOYSA-N
XLogP3.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 55165628
(1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine
CID 67304354
5-tert-butyl-2-methylpyridine;methane
CID 157425273
5-tert-butyl-2-methylpyridine;ethane
CID 162055015
1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 83827657
5-(1,1-difluoroethyl)-2-methylpyridine;ethane
CID 145136619
2-methyl-5-(trifluoromethyl)pyridine
CID 18361873
1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782345
2-(4-bromophenyl)propan-2-amine;hydroiodide
CID 163210830
2-methyl-5-(2-nitrosopropan-2-yl)pyridine
CID 126747574
1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol
CID 127018337
2-(4-bromophenyl)propane-2-thiol
CID 21489042

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine (CID 63155712) is 1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine is Cc1ccc(C(C)(N)c2ccc(Br)cc2)cn1.
What is the InChIKey of 1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is FOFOECFTOPHAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10-3-4-12(9-17-10)14(2,16)11-5-7-13(15)8-6-11/h3-9H,16H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine?
1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 291.19 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 63155712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).