1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine

C15H17BrN2 — CID 107982906

IUPAC1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1cccc(C)c1Br
InChIInChI=1S/C15H17BrN2/c1-11-4-3-5-13(15(11)16)14(17-2)10-12-6-8-18-9-7-12/h3-9,14,17H,10H2,1-2H3
InChIKeySWQFNBOKPDTNAG-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.66
Rot. Bonds4

About 1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine

1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 107982906) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
PubChem CID107982906
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1cccc(C)c1Br
InChIInChI=1S/C15H17BrN2/c1-11-4-3-5-13(15(11)16)14(17-2)10-12-6-8-18-9-7-12/h3-9,14,17H,10H2,1-2H3
InChIKeySWQFNBOKPDTNAG-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107985345
[1-(2-chloro-3-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105317566
1-(2-bromo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114024237
[1-(2-bromo-3-methylphenyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 107985933
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 81477648
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180
1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 107985511
N-methyl-1-(3-methylphenyl)-2-pyridin-4-ylethanamine
CID 62550882
1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine
CID 113398487
2-(3-bromo-2,6-difluorophenyl)-1-(2-bromo-3-methylphenyl)-N-methylethanamine
CID 106273943
1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107984776
1-(2-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 107985356

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine (CID 107982906) is 1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine is CNC(Cc1ccncc1)c1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is SWQFNBOKPDTNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11-4-3-5-13(15(11)16)14(17-2)10-12-6-8-18-9-7-12/h3-9,14,17H,10H2,1-2H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine?
1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 305.22 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 107982906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).